Geometry & MOs

Info

ID:	164862
PubChem CID:	74462228
Reduced:	O3N5C23H36 (1)
Stoich.:	A3B5C23D36 (1)
Weight, g/mol:	470.088801
ΔH_f, kcal/mol:	-102.3
Dipole, Da:	6.31
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.754950
Charge, e:	0

Chem-info

IUPAC name:

N-(2,6-dichlorophenyl)-5-(4-methylphenyl)-7-(trifluoromethyl)-1,2,3,5,6,7-hexahydropyrazolo[1,5-a]pyrimidine-2-carboxamide

Drug info:

PubChemData

Smile

CC(C)CN(C1C(N(C(=O)NC1=O)CC2=CC=CC=C2)N)C(=O)C[NH+](C)C3CCCC3

DOS

IR

Vibrations