Geometry & MOs

Info

ID:	169029
PubChem CID:	75056200
Reduced:	SN2O3C20H30 (1)
Stoich.:	AB2C3D20E30 (1)
Weight, g/mol:	221.21435
ΔH_f, kcal/mol:	-165.23
Dipole, Da:	1.76
IP(EA), eV:	-9.1(-0.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-methyl-5-prop-2-enyl-8-propyl-1,2,3,5,6,7,8,8a-octahydroindolizine

Drug info:

PubChemData

Smile

CC1=C(C(=CC=C1)C)CNC(=O)C2C(SCN2C(=O)OC(C)(C)C)(C)C

DOS

IR

Vibrations