Geometry & MOs

Info

ID:	399977
PubChem CID:	135044287
Reduced:	SiO2C16H22 (1)
Stoich.:	AB2C16D22 (1)
Weight, g/mol:	216.053492
ΔH_f, kcal/mol:	-90.62
Dipole, Da:	4.7
IP(EA), eV:	-9.18(0.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 3-(dicyanomethyl)-4-hydroxybenzoate

Drug info:

PubChemData

Smile

CC(C)(C)[Si@@]1(C[C@@H](C=C1)CC(=O)O)C2=CC=CC=C2

DOS

IR

Vibrations