Geometry & MOs

Info

ID:	364456
PubChem CID:	127315708
Reduced:	SO2N3C12H21 (1)
Stoich.:	AB2C3D12E21 (1)
Weight, g/mol:	266.118591
ΔH_f, kcal/mol:	-85.87
Dipole, Da:	3.56
IP(EA), eV:	-9.0(-0.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1CCN(CCN1C(=O)CN2CSCC2=O)C

DOS

IR

Vibrations