Geometry & MOs

Info

ID:	383438
PubChem CID:	134975167
Reduced:	NSO4C12H20 (1)
Stoich.:	ABC4D12E20 (1)
Weight, g/mol:	341.21435
ΔH_f, kcal/mol:	-182.53
Dipole, Da:	4.8
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.779781
Charge, e:	0

Chem-info

IUPAC name:

7-ethyl-3-(1-phenylnon-1-en-4-yn-3-yl)-1H-indole

Drug info:

PubChemData

Smile

CC1CC(CC(=[N+](C)C)SCC(=O)O1)OC(=O)C

DOS

IR

Vibrations