Geometry & MOs

Info

ID:	143325
PubChem CID:	53189933
Reduced:	O2N6C19H20 (1)
Stoich.:	A2B6C19D20 (1)
Weight, g/mol:	402.141594
ΔH_f, kcal/mol:	46.08
Dipole, Da:	4.12
IP(EA), eV:	-8.38(-0.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-(5-pyrrolidin-1-ylpyrimidin-4-yl)pyrazol-4-yl]-3-(trifluoromethyl)benzamide

Drug info:

PubChemData

Smile

COC1=CC=CC=C1C(=O)NC2=CN(N=C2)C3=NC=NC=C3N4CCCC4

DOS

IR

Vibrations