Geometry & MOs

Info

ID:	364437
PubChem CID:	127315689
Reduced:	ON3C14H23 (1)
Stoich.:	AB3C14D23 (1)
Weight, g/mol:	238.204513
ΔH_f, kcal/mol:	-30.95
Dipole, Da:	4.16
IP(EA), eV:	-8.54(0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-cyclopentyl-1-(4,7-dimethyl-1,4-diazepan-1-yl)ethanone

Drug info:

PubChemData

Smile

CC1CCN(CCN1C(=O)C2=CC=C(N2C)C)C

DOS

IR

Vibrations