Geometry & MOs

Info

ID:	364467
PubChem CID:	127315719
Reduced:	NOC7H11 (2)
Stoich.:	ABC7D11 (2)
Weight, g/mol:	236.188863
ΔH_f, kcal/mol:	-73.94
Dipole, Da:	4.79
IP(EA), eV:	-8.65(0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

cyclohex-3-en-1-yl-(4,7-dimethyl-1,4-diazepan-1-yl)methanone

Drug info:

PubChemData

Smile

CC1CCN(CCN1C(=O)C2=C(OC(=C2)C)C)C

DOS

IR

Vibrations