Geometry & MOs

Info

ID:	345627
PubChem CID:	127269927
Reduced:	NOC7H13 (2)
Stoich.:	ABC7D13 (2)
Weight, g/mol:	291.169525
ΔH_f, kcal/mol:	-128.04
Dipole, Da:	3.86
IP(EA), eV:	-9.4(1.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(oxan-4-yl)-4-pyridazin-3-ylpiperazine-1-carboxamide

Drug info:

PubChemData

Smile

CCC1(CCN(CC1)C(=O)NC2CCOCC2)C

DOS

IR

Vibrations