Geometry & MOs

Info

ID:	374794
PubChem CID:	131344933
Reduced:	N2C4H5 (2)
Stoich.:	A2B4C5 (2)
Weight, g/mol:	225.019271
ΔH_f, kcal/mol:	59.98
Dipole, Da:	10.29
IP(EA), eV:	-9.57(0.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-chloro-3-cyano-6-(hydroxymethyl)benzoate

Drug info:

PubChemData

Smile

C1CC(C2=C(N=CN2C1)C#N)N

DOS

IR

Vibrations