Geometry & MOs

Info

ID:	358902
PubChem CID:	127296793
Reduced:	ON4C22H30 (1)
Stoich.:	AB4C22D30 (1)
Weight, g/mol:	379.237211
ΔH_f, kcal/mol:	-13.93
Dipole, Da:	6.28
IP(EA), eV:	-9.2(0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CC(CCC1CNC(=O)N2CCC(CC2)N3C=CN=C3)C4=CC=CC=C4

DOS

IR

Vibrations