Geometry & MOs

Info

ID:	370383
PubChem CID:	127338412
Reduced:	N2O3C21H24 (1)
Stoich.:	A2B3C21D24 (1)
Weight, g/mol:	366.205576
ΔH_f, kcal/mol:	-111.17
Dipole, Da:	5.35
IP(EA), eV:	-8.97(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3-cyclohexyloxyphenyl)-(4-pyridazin-3-ylpiperazin-1-yl)methanone

Drug info:

PubChemData

Smile

C1CCC2=C(CC1)NC(=O)C(=C2)C(=O)NC3CCCOC4=CC=CC=C34

DOS

IR

Vibrations