Geometry & MOs

Info

ID:	153332
PubChem CID:	56312515
Reduced:	BrNOF2H16C17 (1)
Stoich.:	ABCD2E16F17 (1)
Weight, g/mol:	354.174356
ΔH_f, kcal/mol:	-99.21
Dipole, Da:	3.78
IP(EA), eV:	-9.7(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(cyclopropanecarbonylamino)-N-[2-(2-fluorophenyl)-2-methylpropyl]benzamide

Drug info:

PubChemData

Smile

CC(C)(CNC(=O)C1=C(C=CC(=C1)Br)F)C2=CC=CC=C2F

DOS

IR

Vibrations