Geometry & MOs

Info

ID:	364448
PubChem CID:	127315700
Reduced:	ON2C15H28 (1)
Stoich.:	AB2C15D28 (1)
Weight, g/mol:	263.199762
ΔH_f, kcal/mol:	-75.66
Dipole, Da:	4.31
IP(EA), eV:	-8.6(1.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4,7-dimethyl-1,4-diazepane-1-carbonyl)cyclohexane-1-carbonitrile

Drug info:

PubChemData

Smile

CC1CCN(CCN1C(=O)CC2CCCCC2)C

DOS

IR

Vibrations