Geometry & MOs

Info

ID:	245327
PubChem CID:	99443309
Reduced:	ON2C12H13 (2)
Stoich.:	AB2C12D13 (2)
Weight, g/mol:	438.201553
ΔH_f, kcal/mol:	-45.25
Dipole, Da:	2.41
IP(EA), eV:	-8.14(-0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N,5-diethyl-N-[2-(3-methoxyanilino)-2-oxoethyl]-1-(6-methoxypyridazin-3-yl)pyrazole-4-carboxamide

Drug info:

PubChemData

Smile

CC1=CC2=C(C=C1)NC(=C2CC(=O)N3CCC(CC3)N4C5=CC=CC=C5NC4=O)C

DOS

IR

Vibrations