Geometry & MOs

Info

ID:	350294
PubChem CID:	127277372
Reduced:	SO3N4C18H24 (1)
Stoich.:	AB3C4D18E24 (1)
Weight, g/mol:	397.222623
ΔH_f, kcal/mol:	-82.55
Dipole, Da:	5.55
IP(EA), eV:	-8.7(-0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-methyl-N-[[1-(6-pyrrolidin-1-ylpyridazine-3-carbonyl)piperidin-4-yl]methyl]pyrazole-4-carboxamide

Drug info:

PubChemData

Smile

CN(CC(=O)NC1=CC2=C(C=C1)N=C(N2)C3CCC3)C4CCS(=O)(=O)C4

DOS

IR

Vibrations