Geometry & MOs

Info

ID:	357919
PubChem CID:	127295419
Reduced:	O2N3C24H31 (1)
Stoich.:	A2B3C24D31 (1)
Weight, g/mol:	385.272927
ΔH_f, kcal/mol:	-66.76
Dipole, Da:	4.89
IP(EA), eV:	-8.52(-0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-(2-cyclopentylacetyl)-1,4-diazepan-1-yl]-N-(4-ethylphenyl)propanamide

Drug info:

PubChemData

Smile

C1CCC(C1)CC(=O)N2CCCN(CC2)CC(=O)NC3=CC=CC4=CC=CC=C43

DOS

IR

Vibrations