Geometry & MOs

Info

ID:	216371
PubChem CID:	85086119
Reduced:	O4C15H16 (1)
Stoich.:	A4B15C16 (1)
Weight, g/mol:	260.116092
ΔH_f, kcal/mol:	-118.37
Dipole, Da:	4.69
IP(EA), eV:	-9.15(-0.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-methoxy-3-(2-nitroethenyl)-2-propan-2-yl-1H-indole

Drug info:

PubChemData

Smile

CC12C=C(C(C3=CC=CC=C31)(OO2)C)CCC(=O)O

DOS

IR

Vibrations