Geometry & MOs

Info

ID:	358321
PubChem CID:	127295866
Reduced:	O2N3C22H33 (1)
Stoich.:	A2B3C22D33 (1)
Weight, g/mol:	399.219178
ΔH_f, kcal/mol:	-93.62
Dipole, Da:	3.64
IP(EA), eV:	-8.73(0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-cyclopentyl-1-[4-[2-[(1,1-dioxothiolan-3-yl)-methylamino]acetyl]-1,4-diazepan-1-yl]ethanone

Drug info:

PubChemData

Smile

CCC(C(=O)N1CCCN(CC1)C(=O)CC2CCCC2)NC3=CC=CC=C3

DOS

IR

Vibrations