Geometry & MOs

Info

ID:

149045

PubChem CID:

53788716

Reduced:

SN6C10H17 (1)

Stoich.:

AB6C10D17 (1)

Weight, g/mol:

267.089543

ΔHf, kcal/mol:

71.77

Dipole, Da:

3.42

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 0.754909

Charge, e:

 0

Chem-info

IUPAC name:

benzyl 5-hydroxy-1H-indole-3-carboxylate

Drug info:

PubChemData

Smile

CC1=C(N=CN1)CSCC[N+](=C(N)NC#N)C

DOS

IR

Vibrations