Geometry & MOs

Info

ID:	364523
PubChem CID:	127315775
Reduced:	ClON2C14H19 (1)
Stoich.:	ABC2D14E19 (1)
Weight, g/mol:	250.148141
ΔH_f, kcal/mol:	-31.08
Dipole, Da:	5.38
IP(EA), eV:	-8.99(-0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations