Geometry & MOs

Info

ID:	352245
PubChem CID:	127283327
Reduced:	FON4C20H25 (1)
Stoich.:	ABC4D20E25 (1)
Weight, g/mol:	385.166938
ΔH_f, kcal/mol:	-32.02
Dipole, Da:	1.63
IP(EA), eV:	-9.18(-0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(4-chlorophenyl)-cyclobutylmethyl]-4-pyridazin-3-ylpiperazine-1-carboxamide

Drug info:

PubChemData

Smile

CN1C=C(C=N1)C2CCCN2C(=O)NC(C3CCC3)C4=CC=C(C=C4)F

DOS

IR

Vibrations