Geometry & MOs

Info

ID:	52400
PubChem CID:	12015255
Reduced:	NOC15H23 (1)
Stoich.:	ABC15D23 (1)
Weight, g/mol:	231.162314
ΔH_f, kcal/mol:	-52.83
Dipole, Da:	2.27
IP(EA), eV:	-8.21(0.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-methyl-4-(1-methyl-2,3-dihydroindol-3-yl)pentan-2-one

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations