Geometry & MOs

Info

ID:	364445
PubChem CID:	127315697
Reduced:	ON2C15H22 (1)
Stoich.:	AB2C15D22 (1)
Weight, g/mol:	246.173213
ΔH_f, kcal/mol:	-30.97
Dipole, Da:	5.45
IP(EA), eV:	-8.8(0.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations