Geometry & MOs

Info

ID:	142496
PubChem CID:	53044154
Reduced:	N6H18C19 (1)
Stoich.:	A6B18C19 (1)
Weight, g/mol:	370.115379
ΔH_f, kcal/mol:	127.6
Dipole, Da:	9.65
IP(EA), eV:	-9.04(-1.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-methyl-2-pyridin-3-yl-N-[3-(trifluoromethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine

Drug info:

PubChemData

Smile

CCC1=CC=C(C=C1)NC2=CC(=NC3=NC(=NN23)C4=CN=CC=C4)C

DOS

IR

Vibrations