Geometry & MOs

Info

ID:	399960
PubChem CID:	135044217
Reduced:	O2C13H14 (1)
Stoich.:	A2B13C14 (1)
Weight, g/mol:	299.98983
ΔH_f, kcal/mol:	-61.8
Dipole, Da:	2.78
IP(EA), eV:	-9.34(0.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-bromophenyl)-2-cyanobenzamide

Drug info:

PubChemData

Smile

C1[C@@H]2C=C[C@](C1O)(CC3=CC=CC=C23)O

DOS

IR

Vibrations