Geometry & MOs

Info

ID:	82936
PubChem CID:	49856845
Reduced:	ClO2N6H15C18 (1)
Stoich.:	AB2C6D15E18 (1)
Weight, g/mol:	368.078851
ΔH_f, kcal/mol:	58.09
Dipole, Da:	6.22
IP(EA), eV:	-8.24(-1.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(5Z)-5-(3-chloro-6-oxocyclohexa-2,4-dien-1-ylidene)-2-methyl-1H-pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide

Drug info:

PubChemData

Smile

CN1C=C(C(=N1)C2=C(C=CC(=C2)Cl)OC)NC(=O)C3=C4N=CC=CN4N=C3

DOS

IR

Vibrations