Geometry & MOs

Info

ID:	200034
PubChem CID:	79335499
Reduced:	ClNC15H16 (1)
Stoich.:	ABC15D16 (1)
Weight, g/mol:	256.96876
ΔH_f, kcal/mol:	31.98
Dipole, Da:	0.81
IP(EA), eV:	-9.19(-0.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(4-bromo-3-nitrophenyl)prop-2-en-1-ol

Drug info:

PubChemData

Smile

CC(C)C(=CC1=CC2=C(C=C1)N=CC=C2)CCl

DOS

IR

Vibrations