Geometry & MOs

Info

ID:	354706
PubChem CID:	127287405
Reduced:	ON3C13H25 (1)
Stoich.:	AB3C13D25 (1)
Weight, g/mol:	267.194677
ΔH_f, kcal/mol:	-70.13
Dipole, Da:	2.61
IP(EA), eV:	-8.77(1.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-acetyl-N-(2-methylcyclopentyl)-1,4-diazepane-1-carboxamide

Drug info:

PubChemData

Smile

CC1CCCC1NC(=O)N2CCCN(CC2)C

DOS

IR

Vibrations