Geometry & MOs

Info

ID:	366629
PubChem CID:	127320158
Reduced:	ON2C12H18 (1)
Stoich.:	AB2C12D18 (1)
Weight, g/mol:	381.18009
ΔH_f, kcal/mol:	-34.91
Dipole, Da:	1.39
IP(EA), eV:	-8.4(0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-[4-(oxolane-2-carbonyl)piperazin-1-yl]-N-phenylpyridazine-3-carboxamide

Drug info:

PubChemData

Smile

CC1CN(CC(O1)C)C2=CC=CC(=N2)C

DOS

IR

Vibrations