Geometry & MOs

Info

ID:	132110
PubChem CID:	51307467
Reduced:	ClO2N4C20H27 (1)
Stoich.:	AB2C4D20E27 (1)
Weight, g/mol:	364.153541
ΔH_f, kcal/mol:	-63.73
Dipole, Da:	6.74
IP(EA), eV:	-8.77(0.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-amino-2-oxo-1-phenylethyl)-4-oxo-3-propan-2-ylphthalazine-1-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)OCCCC(=O)NCCC2=NN=C3N2CCCCC3)Cl

DOS

IR

Vibrations