Geometry & MOs

Info

ID:	369758
PubChem CID:	127335230
Reduced:	ClON5C19H20 (1)
Stoich.:	ABC5D19E20 (1)
Weight, g/mol:	356.23246
ΔH_f, kcal/mol:	27.96
Dipole, Da:	4.53
IP(EA), eV:	-8.57(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-ethyl-N-[1-(6-methylpyridazin-3-yl)piperidin-3-yl]-5-propan-2-ylpyrazole-3-carboxamide

Drug info:

PubChemData

Smile

CC1=NN=C(C=C1)N2CCCC(C2)NC(=O)C3=C(C4=CC=CC=C4N3)Cl

DOS

IR

Vibrations