Geometry & MOs

Info

ID:	364522
PubChem CID:	127315774
Reduced:	ON3C13H19 (1)
Stoich.:	AB3C13D19 (1)
Weight, g/mol:	266.118591
ΔH_f, kcal/mol:	-10.39
Dipole, Da:	5.7
IP(EA), eV:	-9.04(-0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4-chlorophenyl)-(4,7-dimethyl-1,4-diazepan-1-yl)methanone

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations