Geometry & MOs

Info

ID:	216316
PubChem CID:	85086041
Reduced:	NOC16H31 (1)
Stoich.:	ABC16D31 (1)
Weight, g/mol:	252.97384
ΔH_f, kcal/mol:	-87.74
Dipole, Da:	4.09
IP(EA), eV:	-9.25(1.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(2-bromo-3-hydroxy-4-methoxyphenyl)prop-2-enenitrile

Drug info:

PubChemData

Smile

CCCCC=CCCCCCCCC(=O)N(C)C

DOS

IR

Vibrations