Geometry & MOs

Info

ID:	133761
PubChem CID:	51586853
Reduced:	O2N5C20H21 (1)
Stoich.:	A2B5C20D21 (1)
Weight, g/mol:	348.182435
ΔH_f, kcal/mol:	42.73
Dipole, Da:	4.06
IP(EA), eV:	-8.22(-0.61)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

3-methyl-5-[(2R)-1-(5-methylpyrazol-1-yl)propan-2-yl]-2-phenyl-1,4-dihydropyrazolo[1,5-a]pyrimidin-8-ium-7-one

Drug info:

PubChemData

Smile

CC1=C2C(=CC=C1)C(=CN2)C[C@H](C)NC(=O)C3=NOC(=C3)C4=CN(N=C4)C

DOS

IR

Vibrations