Geometry & MOs

Info

ID:	364405
PubChem CID:	127315644
Reduced:	OSN2C14H22 (1)
Stoich.:	ABC2D14E22 (1)
Weight, g/mol:	260.188863
ΔH_f, kcal/mol:	-34.5
Dipole, Da:	5.11
IP(EA), eV:	-8.66(-0.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4,7-dimethyl-1,4-diazepan-1-yl)-(2,3-dimethylphenyl)methanone

Drug info:

PubChemData

Smile

CC1CCN(CCN1C(=O)C2=CC(=C(S2)C)C)C

DOS

IR

Vibrations