Geometry & MOs

Info

ID:	345427
PubChem CID:	127269727
Reduced:	ON2C9H16 (2)
Stoich.:	AB2C9D16 (2)
Weight, g/mol:	388.258674
ΔH_f, kcal/mol:	-121.3
Dipole, Da:	5.23
IP(EA), eV:	-8.52(0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(1-morpholin-4-ylcyclohexyl)methyl]-4-pyridazin-3-ylpiperazine-1-carboxamide

Drug info:

PubChemData

Smile

C1CCC(CC1)(CNC(=O)NC2CCCNC2=O)N3CCCCC3

DOS

IR

Vibrations