Geometry & MOs

Info

ID:	308565
PubChem CID:	126497042
Reduced:	IN3O5H20C25 (1)
Stoich.:	AB3C5D20E25 (1)
Weight, g/mol:	459.179421
ΔH_f, kcal/mol:	4.31
Dipole, Da:	7.63
IP(EA), eV:	-8.83(-1.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,3-dihydroindol-1-yl-[4-[(3-ethyl-5-nitrophenyl)methoxy]-5-methoxy-2-(methylideneamino)phenyl]methanone

Drug info:

PubChemData

Smile

COC1=C(C=C2C(=C1)C(=O)N3[C@@H](CC4=CC=CC=C43)C=N2)OCC5=CC(=CC(=C5)[N+](=O)[O-])CI

DOS

IR

Vibrations