Geometry & MOs

Info

ID:	398352
PubChem CID:	135032921
Reduced:	OC31H54 (1)
Stoich.:	AB31C54 (1)
Weight, g/mol:	280.121178
ΔH_f, kcal/mol:	-111.84
Dipole, Da:	1.29
IP(EA), eV:	-9.0(1.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(2S)-1-nitro-2-phenylpropan-2-yl]-1H-indole

Drug info:

PubChemData

Smile

C[C@H](CCCC(C)C)[C@H]1CC[C@@]2([C@@]1(CC[C@]3([C@]2(CC=C4[C@@]3(CC[C@@H](C4)OC)C)C)C)C)C

DOS

IR

Vibrations