Geometry & MOs

Info

ID:	216563
PubChem CID:	85086428
Reduced:	NC20H27 (1)
Stoich.:	AB20C27 (1)
Weight, g/mol:	281.064113
ΔH_f, kcal/mol:	4.87
Dipole, Da:	0.63
IP(EA), eV:	-8.46(0.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(chloromethyl)-2-phenylsulfanyl-1,2,5,6,7,8-hexahydropyrrolizin-3-one

Drug info:

PubChemData

Smile

CC1=C(C2C3CN(CC3C1C4=CC=CC=C24)CC(C)C)C

DOS

IR

Vibrations