Geometry & MOs

Info

ID:	391224
PubChem CID:	135003632
Reduced:	NO4C17H23 (1)
Stoich.:	AB4C17D23 (1)
Weight, g/mol:	274.095357
ΔH_f, kcal/mol:	-137.65
Dipole, Da:	4.46
IP(EA), eV:	-9.4(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 3-(1H-indol-3-yl)-2-nitropent-4-enoate

Drug info:

PubChemData

Smile

COC(=O)C1=CC=C(C=C1)CC2(CCCCC2)C(=O)NOC

DOS

IR

Vibrations