Geometry & MOs

Info

ID:	372072
PubChem CID:	131292830
Reduced:	NSO3C11H13 (1)
Stoich.:	ABC3D11E13 (1)
Weight, g/mol:	222.025227
ΔH_f, kcal/mol:	-88.16
Dipole, Da:	7.5
IP(EA), eV:	-9.55(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[5-nitro-4-(trifluoromethyl)pyridin-3-yl]methanol

Drug info:

PubChemData

Smile

CC(CC1=C(C=C(C=C1)S(=O)(=O)C)O)C#N

DOS

IR

Vibrations