Geometry & MOs

Info

ID:	364453
PubChem CID:	127315705
Reduced:	ON3C18H25 (1)
Stoich.:	AB3C18D25 (1)
Weight, g/mol:	284.109169
ΔH_f, kcal/mol:	-22.27
Dipole, Da:	5.33
IP(EA), eV:	-8.25(0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1CCN(CCN1C(=O)C2=CC3=C(C=C2)NC(=C3C)C)C

DOS

IR

Vibrations