Geometry & MOs

Info

ID:	174964
PubChem CID:	75839362
Reduced:	NSO3C17H21 (1)
Stoich.:	ABC3D17E21 (1)
Weight, g/mol:	376.17735
ΔH_f, kcal/mol:	-88.57
Dipole, Da:	7.03
IP(EA), eV:	-9.35(-0.57)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

[1-(3-amino-3-oxopropyl)indol-3-yl]methyl-[(4-oxo-1H-phthalazin-1-yl)methyl]azanium

Drug info:

PubChemData

Smile

CCC(CO)[NH+](CC1=CSC=C1)CC2=CC=CC=C2C(=O)[O-]

DOS

IR

Vibrations