Geometry & MOs

Info

ID:	332104
PubChem CID:	127250390
Reduced:	O3N4C26H30 (1)
Stoich.:	A3B4C26D30 (1)
Weight, g/mol:	436.211055
ΔH_f, kcal/mol:	-46.32
Dipole, Da:	3.63
IP(EA), eV:	-8.99(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[6-[4-[2-(2-oxoazepan-1-yl)acetyl]morpholin-2-yl]pyridin-3-yl]benzamide

Drug info:

PubChemData

Smile

CCN1C(=C2CCCCC2=N1)C(=O)N3CCOC(C3)C4=NC=C(C=C4)C5=CC(=CC=C5)OC

DOS

IR

Vibrations