Geometry & MOs

Info

ID:	414082
PubChem CID:	135087036
Reduced:	NOH11C13 (2)
Stoich.:	ABC11D13 (2)
Weight, g/mol:	426.117549
ΔH_f, kcal/mol:	50.09
Dipole, Da:	3.75
IP(EA), eV:	-8.24(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl (2Z)-2-(2,4-dinitrophenoxy)imino-4-(1H-indol-3-yl)butanoate

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C#CC2=C(N(C3=CC=CC=C32)C)C(=O)NC4=CC=C(C=C4)OC

DOS

IR

Vibrations