Geometry & MOs

Info

ID:	132603
PubChem CID:	51384957
Reduced:	N5O5C27H43 (1)
Stoich.:	A5B5C27D43 (1)
Weight, g/mol:	518.230448
ΔH_f, kcal/mol:	-201.33
Dipole, Da:	6.32
IP(EA), eV:	-9.1(0.48)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

2-amino-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-1-(3,5-dimethylphenyl)pyrrolo[2,3-b]quinoxalin-9-ium-3-carboxamide

Drug info:

PubChemData

Smile

COC1CCC(CC1OC)CCN2C(C(CC3C2NC4CCCCN4C3=O)C(=O)NCC5=CC=CO5)N

DOS

IR

Vibrations