Geometry & MOs

Info

ID:	358910
PubChem CID:	127296801
Reduced:	ON2C11H15 (2)
Stoich.:	AB2C11D15 (2)
Weight, g/mol:	395.232125
ΔH_f, kcal/mol:	-57.12
Dipole, Da:	5.05
IP(EA), eV:	-9.04(0.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

COC1=CC=CC(=C1)C2(CCCC2)CNC(=O)N3CCCCC3C4=NC=CN4

DOS

IR

Vibrations