Geometry & MOs

Info

ID:	157937
PubChem CID:	56459063
Reduced:	FO2N3C25H30 (1)
Stoich.:	AB2C3D25E30 (1)
Weight, g/mol:	489.237604
ΔH_f, kcal/mol:	-98.29
Dipole, Da:	2.04
IP(EA), eV:	-8.87(-0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N'-[2-(3-methylbutanoyl)-3,4-dihydro-1H-isoquinoline-3-carbonyl]-4-oxo-3-propylphthalazine-1-carbohydrazide

Drug info:

PubChemData

Smile

CC(C)CC(=O)N1CC2=CC=CC=C2CC1C(=O)N3CCN(CC3)C4=CC=C(C=C4)F

DOS

IR

Vibrations