Geometry & MOs

Info

ID:	431114
PubChem CID:	135171184
Reduced:	O2N5C24H27 (1)
Stoich.:	A2B5C24D27 (1)
Weight, g/mol:	407.232125
ΔH_f, kcal/mol:	11.36
Dipole, Da:	2.52
IP(EA), eV:	-9.03(-0.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-ethyl-N-[(1S)-3-[(3-propan-2-yl-1,2-oxazol-5-yl)methylamino]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=CC3=C(O2)C=CC=N3)C(=O)C4=NC5=CC=CC=C5N4

DOS

IR

Vibrations