Geometry & MOs

Info

ID:	364476
PubChem CID:	127315728
Reduced:	ON2C17H24 (1)
Stoich.:	AB2C17D24 (1)
Weight, g/mol:	250.204513
ΔH_f, kcal/mol:	-37.89
Dipole, Da:	3.34
IP(EA), eV:	-8.64(0.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1CCN(CCN1C(=O)C2=CC=CC3=C2CCC3)C

DOS

IR

Vibrations