Geometry & MOs

Info

ID:	244227
PubChem CID:	99319507
Reduced:	ClN2O2S2C15H21 (1)
Stoich.:	AB2C2D2E15F21 (1)
Weight, g/mol:	384.216141
ΔH_f, kcal/mol:	-87.03
Dipole, Da:	8.23
IP(EA), eV:	-8.68(-0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(3R)-1-(3-butyl-4-oxophthalazine-1-carbonyl)piperidin-3-yl]propanamide

Drug info:

PubChemData

Smile

CCC(=O)N[C@@H]1CCCN(C1)C(=O)CSCC2=CC=C(S2)Cl

DOS

IR

Vibrations