Geometry & MOs

Info

ID:	305760
PubChem CID:	124968329
Reduced:	O2N3C27H27 (1)
Stoich.:	A2B3C27D27 (1)
Weight, g/mol:	468.252526
ΔH_f, kcal/mol:	20.39
Dipole, Da:	2.95
IP(EA), eV:	-8.69(-0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(6S)-4-[[2-(2-methoxyphenyl)phenyl]methyl]-6-(1H-pyrrolo[2,3-b]pyridin-5-ylmethyl)-1,4-diazepan-1-yl]ethanone

Drug info:

PubChemData

Smile

C1COC[C@@H](CN1C(=O)C(C2=CC=CC=C2)C3=CC=CC=C3)CC4=NC=CN5C4=CC=C5

DOS

IR

Vibrations