Geometry & MOs

Info

ID:	414221
PubChem CID:	135087177
Reduced:	ClN2O2C17H21 (1)
Stoich.:	AB2C2D17E21 (1)
Weight, g/mol:	275.090606
ΔH_f, kcal/mol:	-88.99
Dipole, Da:	3.99
IP(EA), eV:	-8.39(-0.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(NE)-N-[[1-(methoxymethyl)-3-[(E)-2-nitroethenyl]indol-2-yl]methylidene]hydroxylamine

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)N1CCC2=C(C1)N(C3=C2C=CC(=C3)Cl)C

DOS

IR

Vibrations