Geometry & MOs

Info

ID:	368358
PubChem CID:	127328028
Reduced:	N3O5C20H29 (1)
Stoich.:	A3B5C20D29 (1)
Weight, g/mol:	345.252861
ΔH_f, kcal/mol:	-206.06
Dipole, Da:	3.75
IP(EA), eV:	-8.13(0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-cycloheptyl-4-[methyl-(6-methylpyridazin-3-yl)amino]piperidine-1-carboxamide

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)NC(=O)NCC2COCCO2)NC(=O)C3CCCCC3

DOS

IR

Vibrations