Geometry & MOs

Info

ID:

418513

PubChem CID:

135105420

Reduced:

FO6N7C34H42 (1)

Stoich.:

AB6C7D34E42 (1)

Weight, g/mol:

380.221226

ΔHf, kcal/mol:

-269.65

Dipole, Da:

8.14

IP(EA), eV:

 -8.81(-0.62)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[2-[[1-[(3-hydroxyphenyl)methyl]piperidin-4-yl]amino]pyridin-3-yl]-pyrrolidin-1-ylmethanone

Drug info:

PubChemData

Smile

C[C@@H]1C(=O)N[C@H](C(=O)N(CC(=O)NCCC[C@@H](C(=O)N[C@@H](C(=O)N1)C(C)C)NC(=O)C2=CC3=C(N2)C=CC(=C3)F)C)CC4=CC=CC=C4

DOS

IR

Vibrations