Geometry & MOs

Info

ID:	413256
PubChem CID:	135086203
Reduced:	NC10H11 (2)
Stoich.:	AB10C11 (2)
Weight, g/mol:	244.084792
ΔH_f, kcal/mol:	67.23
Dipole, Da:	3.91
IP(EA), eV:	-8.33(-0.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[3-[(E)-2-nitroethenyl]indol-1-yl]propanal

Drug info:

PubChemData

Smile

CC(C)(C)N=CC1=CC2=CC=CC=C2N1CC3=CC=CC=C3

DOS

IR

Vibrations