Geometry & MOs

Info

ID:	262784
PubChem CID:	103317102
Reduced:	N5C11H13 (1)
Stoich.:	A5B11C13 (1)
Weight, g/mol:	316.070259
ΔH_f, kcal/mol:	99.23
Dipole, Da:	3.9
IP(EA), eV:	-8.74(-1.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3-chlorophenyl)-5-methyl-7-(trifluoromethyl)-1,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidine

Drug info:

PubChemData

Smile

CC1CN=C2N=C(NN2C1)C3=CC=CC=N3

DOS

IR

Vibrations