Geometry & MOs

Info

ID:	157708
PubChem CID:	56436642
Reduced:	O4N5C22H29 (1)
Stoich.:	A4B5C22D29 (1)
Weight, g/mol:	465.27399
ΔH_f, kcal/mol:	-126.87
Dipole, Da:	7.2
IP(EA), eV:	-8.81(-0.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[[[4-(azepane-1-carbonyl)phenyl]carbamoylamino]methyl]-N-[2-(dimethylamino)ethyl]benzamide

Drug info:

PubChemData

Smile

CN(C)CCNC(=O)C1=CC=CC(=C1)CNC(=O)NC2=CC=CC(=C2)NC(=O)COC

DOS

IR

Vibrations