Geometry & MOs

Info

ID:	120899
PubChem CID:	50749592
Reduced:	N3O3C19H19 (1)
Stoich.:	A3B3C19D19 (1)
Weight, g/mol:	425.146345
ΔH_f, kcal/mol:	-84.94
Dipole, Da:	3.74
IP(EA), eV:	-9.39(-1.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[[5-methyl-3-(4-methylphenyl)-2-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-7-yl]amino]benzamide

Drug info:

PubChemData

Smile

CC1(CC2=NC3=C(C=C2CO1)C(=O)N(C(=O)N3C)C4=CC=CC=C4)C

DOS

IR

Vibrations