Geometry & MOs

Info

ID:	357939
PubChem CID:	127295439
Reduced:	N3O4C21H29 (1)
Stoich.:	A3B4C21D29 (1)
Weight, g/mol:	371.257277
ΔH_f, kcal/mol:	-147.66
Dipole, Da:	4.72
IP(EA), eV:	-8.47(-0.2)
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)acetamide

Drug info:

PubChemData

Smile

C1CCC(C1)CC(=O)N2CCCN(CC2)CC(=O)NC3=CC4=C(C=C3)OCO4

DOS

IR

Vibrations