Geometry & MOs

Info

ID:	357876
PubChem CID:	127295376
Reduced:	N3O3C22H33 (1)
Stoich.:	A3B3C22D33 (1)
Weight, g/mol:	371.257277
ΔH_f, kcal/mol:	-126.93
Dipole, Da:	5.5
IP(EA), eV:	-8.45(0.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-(2-cyclopentylacetyl)-1,4-diazepan-1-yl]-N-(3-methylphenyl)propanamide

Drug info:

PubChemData

Smile

CC(C(=O)NC1=CC=CC=C1OC)N2CCCN(CC2)C(=O)CC3CCCC3

DOS

IR

Vibrations