Geometry & MOs

Info

ID:	66101
PubChem CID:	46491119
Reduced:	N3O3C16H23 (1)
Stoich.:	A3B3C16D23 (1)
Weight, g/mol:	412.141452
ΔH_f, kcal/mol:	-121.97
Dipole, Da:	5.04
IP(EA), eV:	-8.62(-0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N'-[1-(6-chloropyridazin-3-yl)piperidine-3-carbonyl]-1-methylindole-3-carbohydrazide

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)NC(=O)C2CCN(CC2)C(=O)N(C)C)O

DOS

IR

Vibrations