Geometry & MOs

Info

ID:	387752
PubChem CID:	134986727
Reduced:	NOC14H27 (1)
Stoich.:	ABC14D27 (1)
Weight, g/mol:	243.102607
ΔH_f, kcal/mol:	-62.5
Dipole, Da:	4.21
IP(EA), eV:	-8.75(0.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(7S,8aS)-8-butanoyl-7-chloro-2,5,6,7,8,8a-hexahydro-1H-indolizin-3-one

Drug info:

PubChemData

Smile

CCC1(C(C(C1=O)(CC)CC)N(C)C)CC

DOS

IR

Vibrations