Geometry & MOs

Info

ID:	196178
PubChem CID:	78793606
Reduced:	ClN2O3C18H19 (1)
Stoich.:	AB2C3D18E19 (1)
Weight, g/mol:	407.114903
ΔH_f, kcal/mol:	-84.64
Dipole, Da:	2.42
IP(EA), eV:	-8.85(-0.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCN(CC1COC2=CC=CC=C2O1)C(=O)NC3=CC=CC=C3Cl

DOS

IR

Vibrations