Geometry & MOs

Info

ID:	364514
PubChem CID:	127315766
Reduced:	ON2F3C14H17 (1)
Stoich.:	AB2C3D14E17 (1)
Weight, g/mol:	280.134241
ΔH_f, kcal/mol:	-156.51
Dipole, Da:	6.08
IP(EA), eV:	-9.15(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations