Geometry & MOs

Info

ID:	20189
PubChem CID:	582634
Reduced:	N3O5H17C19 (1)
Stoich.:	A3B5C17D19 (1)
Weight, g/mol:	367.116821
ΔH_f, kcal/mol:	-56.07
Dipole, Da:	4.0
IP(EA), eV:	-8.75(-1.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-[(2-hydroxy-5-nitrophenyl)methylideneamino]-3-(1H-indol-3-yl)propanoate

Drug info:

PubChemData

Smile

COC(=O)C(CC1=CNC2=CC=CC=C21)N=CC3=C(C=CC(=C3)[N+](=O)[O-])O

DOS

IR

Vibrations