Geometry & MOs

Info

ID:	29608
PubChem CID:	835769
Reduced:	BrClON2H8C12 (1)
Stoich.:	ABCD2E8F12 (1)
Weight, g/mol:	253.146664
ΔH_f, kcal/mol:	14.39
Dipole, Da:	1.5
IP(EA), eV:	-9.24(-1.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-N-(3-methylphenyl)-2-phenylbutanamide

Drug info:

PubChemData

Smile

C1=CC=C(C(=C1)NC(=O)C2=CC(=CN=C2)Br)Cl

DOS

IR

Vibrations