Geometry & MOs

Info

ID:	352585
PubChem CID:	127283673
Reduced:	SO3N4C18H30 (1)
Stoich.:	AB3C4D18E30 (1)
Weight, g/mol:	388.247441
ΔH_f, kcal/mol:	-124.11
Dipole, Da:	5.04
IP(EA), eV:	-8.93(0.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-ethyl-2-[4-[3-(morpholin-4-ylmethyl)benzoyl]-1,4-diazepan-1-yl]acetamide

Drug info:

PubChemData

Smile

CCNC(=O)CN1CCCN(CC1)C(=O)C2CSCN2C(=O)C3CCC3

DOS

IR

Vibrations