Geometry & MOs

Info

ID:	68075
PubChem CID:	46507716
Reduced:	ClO2N4H11C14 (1)
Stoich.:	AB2C4D11E14 (1)
Weight, g/mol:	312.12224
ΔH_f, kcal/mol:	-10.47
Dipole, Da:	4.03
IP(EA), eV:	-8.76(-1.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(4-ethoxyphenyl)-5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide

Drug info:

PubChemData

Smile

CC1=CC(=O)N2C(=N1)C(=CN2)C(=O)NC3=CC=C(C=C3)Cl

DOS

IR

Vibrations