Geometry & MOs

Info

ID:	285190
PubChem CID:	104098535
Reduced:	N2C3H4 (3)
Stoich.:	A2B3C4 (3)
Weight, g/mol:	301.078659
ΔH_f, kcal/mol:	94.97
Dipole, Da:	6.04
IP(EA), eV:	-9.1(-0.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-nitro-N-[2-(triazol-1-yl)ethyl]-4-(trifluoromethyl)aniline

Drug info:

PubChemData

Smile

CC1=CN=C(N=C1)NCCN2C=CN=N2

DOS

IR

Vibrations