Geometry & MOs

Info

ID:	177842
PubChem CID:	76240798
Reduced:	N4O5C24H36 (1)
Stoich.:	A4B5C24D36 (1)
Weight, g/mol:	395.135545
ΔH_f, kcal/mol:	-190.61
Dipole, Da:	5.57
IP(EA), eV:	-9.03(-0.39)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

3-ethyl-1-[2-(5-nitro-2,3-dihydroindol-1-yl)-2-oxoethyl]-4aH-quinazolin-1-ium-2,4-dione

Drug info:

PubChemData

Smile

CCCCN1C(C(C(=O)NC1=O)N(CC(C)C)C(=O)C2=CC(=C(C(=C2)OC)OC)CC=C)N

DOS

IR

Vibrations