Geometry & MOs

Info

ID:	222183
PubChem CID:	85295026
Reduced:	NOC12H13 (1)
Stoich.:	ABC12D13 (1)
Weight, g/mol:	203.094629
ΔH_f, kcal/mol:	67.47
Dipole, Da:	10.71
IP(EA), eV:	-8.66(-1.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-ethoxy-2-[hydroxy(phenyl)methyl]prop-2-enenitrile

Drug info:

PubChemData

Smile

CC1(C2CC1=C3C=CC(=O)N=C3C2)C

DOS

IR

Vibrations