Geometry & MOs

Info

ID:	220333
PubChem CID:	85177306
Reduced:	NOC16H23 (1)
Stoich.:	ABC16D23 (1)
Weight, g/mol:	245.118257
ΔH_f, kcal/mol:	-10.36
Dipole, Da:	3.02
IP(EA), eV:	-8.81(0.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-(2-chloropropan-2-yl)-3-(hydroxymethyl)-2,3,6,7,8,8a-hexahydro-1H-indolizin-5-one

Drug info:

PubChemData

Smile

CC=CCN(CC1=CC=CC=C1)CC(C)(C)C=O

DOS

IR

Vibrations