Geometry & MOs

Info

ID:	357930
PubChem CID:	127295430
Reduced:	O2N3C21H37 (1)
Stoich.:	A2B3C21D37 (1)
Weight, g/mol:	397.272927
ΔH_f, kcal/mol:	-137.34
Dipole, Da:	6.15
IP(EA), eV:	-9.18(1.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-(2-cyclopentylacetyl)-1,4-diazepan-1-yl]-N-(1-phenylcyclobutyl)acetamide

Drug info:

PubChemData

Smile

CC(C(=O)NC1CCCCC1)N2CCCN(CC2)C(=O)CC3CCCC3

DOS

IR

Vibrations