Geometry & MOs

Info

ID:	364487
PubChem CID:	127315739
Reduced:	ON2C14H24 (1)
Stoich.:	AB2C14D24 (1)
Weight, g/mol:	260.188863
ΔH_f, kcal/mol:	-43.16
Dipole, Da:	4.18
IP(EA), eV:	-8.6(1.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4,7-dimethyl-1,4-diazepan-1-yl)-(3,5-dimethylphenyl)methanone

Drug info:

PubChemData

Smile

CC1CCN(CCN1C(=O)CC2CCC=C2)C

DOS

IR

Vibrations