Geometry & MOs

Info

ID:	52401
PubChem CID:	12015256
Reduced:	NOC15H21 (1)
Stoich.:	ABC15D21 (1)
Weight, g/mol:	287.152144
ΔH_f, kcal/mol:	-40.73
Dipole, Da:	3.3
IP(EA), eV:	-8.29(0.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 5-methyl-5-(1-methylindol-3-yl)-3-oxohexanoate

Drug info:

PubChemData

Smile

CC(=O)CC(C)(C)C1CN(C2=CC=CC=C12)C

DOS

IR

Vibrations