Geometry & MOs

Info

ID:

431046

PubChem CID:

135171116

Reduced:

O3N10C50H52 (1)

Stoich.:

A3B10C50D52 (1)

Weight, g/mol:

365.185175

ΔHf, kcal/mol:

80.8

Dipole, Da:

9.06

IP(EA), eV:

 -8.9(-1.26)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-ethyl-N-[3-(1,2-oxazol-4-ylmethylamino)cyclohex-3-en-1-yl]-1H-pyrrolo[3,2-b]pyridine-2-carboxamide

Drug info:

PubChemData

Smile

CCN([C@H]1CCC[C@H](C1)NCC2=CC=C(C=C2)C3=CC4=C(C=C3)N=C(N4)C(=O)N(CC)[C@H]5CCC[C@H](C5)NCC6=C(C7=CC=CC=C7O6)C#N)C(=O)C8=NC9=C(N8)C=C(C=C9)C#N

DOS

IR

Vibrations