Geometry & MOs

Info

ID:	365965
PubChem CID:	127319254
Reduced:	N3O4C20H27 (1)
Stoich.:	A3B4C20D27 (1)
Weight, g/mol:	281.210327
ΔH_f, kcal/mol:	-144.8
Dipole, Da:	6.87
IP(EA), eV:	-9.2(-0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-acetyl-N-(1-cyclopentylethyl)-1,4-diazepane-1-carboxamide

Drug info:

PubChemData

Smile

CC(C1CCCC1)NC(=O)N2CCN(CC2)C(=O)C3=CC4=C(C=C3)OCO4

DOS

IR

Vibrations