Geometry & MOs

Info

ID:	426790
PubChem CID:	135153889
Reduced:	ON2C6H7 (2)
Stoich.:	AB2C6D7 (2)
Weight, g/mol:	284.088495
ΔH_f, kcal/mol:	-32.26
Dipole, Da:	2.78
IP(EA), eV:	-8.9(-0.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

azane;N-[2-(trifluoromethyl)phenyl]pyrimidine-4-carboxamide

Drug info:

PubChemData

Smile

C1C(CC1N2C3=CC=CC=C3NC2=O)C(=O)NN

DOS

IR

Vibrations