Geometry & MOs

Info

ID:	67508
PubChem CID:	46506607
Reduced:	O3N5H21C22 (1)
Stoich.:	A3B5C21D22 (1)
Weight, g/mol:	437.125467
ΔH_f, kcal/mol:	-33.25
Dipole, Da:	3.33
IP(EA), eV:	-9.21(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(2-chlorophenyl)methyl]-2-[1-methyl-6-(4-methylphenyl)-5,7-dioxopyrazolo[4,3-d]pyrimidin-4-yl]acetamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)N2C(=O)C3=C(C=NN3C)N(C2=O)CC(=O)NCC4=CC=CC=C4

DOS

IR

Vibrations