Geometry & MOs

Info

ID:	403034
PubChem CID:	135058456
Reduced:	NOC20H26 (1)
Stoich.:	ABC20D26 (1)
Weight, g/mol:	295.02079
ΔH_f, kcal/mol:	-19.3
Dipole, Da:	3.31
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.918818
Charge, e:	0

Chem-info

IUPAC name:

propyl 5-bromo-1-methylindole-3-carboxylate

Drug info:

PubChemData

Smile

CCC/C=C(\CCC)/C1=[N+](C(=O)CC=C1)CC2=CC=CC=C2

DOS

IR

Vibrations