Geometry & MOs

Info

ID:	372260
PubChem CID:	131294785
Reduced:	N2O3H10C11 (1)
Stoich.:	A2B3C10D11 (1)
Weight, g/mol:	231.050713
ΔH_f, kcal/mol:	-72.99
Dipole, Da:	7.53
IP(EA), eV:	-9.89(-1.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(hydroxymethyl)-3-methoxy-6-(trifluoromethyl)benzonitrile

Drug info:

PubChemData

Smile

CC1=NC(=CO1)C2=CC(=NC=C2)CC(=O)O

DOS

IR

Vibrations