Geometry & MOs

Info

ID:	202715
PubChem CID:	79713533
Reduced:	ClF4N5H8C11 (1)
Stoich.:	AB4C5D8E11 (1)
Weight, g/mol:	324.08373
ΔH_f, kcal/mol:	-116.72
Dipole, Da:	6.42
IP(EA), eV:	-9.78(-1.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-amino-4-bromo-N-cyclohexyl-N-ethylbenzamide

Drug info:

PubChemData

Smile

C1CN2C(=NN=C2C(F)(F)F)CN1C3=C(C=C(C=N3)Cl)F

DOS

IR

Vibrations