Geometry & MOs

Info

ID:	364524
PubChem CID:	127315776
Reduced:	FON2C14H19 (1)
Stoich.:	ABC2D14E19 (1)
Weight, g/mol:	260.188863
ΔH_f, kcal/mol:	-66.51
Dipole, Da:	5.43
IP(EA), eV:	-8.7(-0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1CCN(CCN1C(=O)C2=CC=CC=C2F)C

DOS

IR

Vibrations