Geometry & MOs

Info

ID:	357936
PubChem CID:	127295436
Reduced:	O2N4C21H28 (1)
Stoich.:	A2B4C21D28 (1)
Weight, g/mol:	385.272927
ΔH_f, kcal/mol:	-55.95
Dipole, Da:	2.04
IP(EA), eV:	-9.11(-1.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CCC(C1)CC(=O)N2CCCN(CC2)CC3=CC(=O)N4C=CC=CC4=N3

DOS

IR

Vibrations