Geometry & MOs

Info

ID:	217453
PubChem CID:	85087848
Reduced:	N3O4C19H31 (1)
Stoich.:	A3B4C19D31 (1)
Weight, g/mol:	365.14495
ΔH_f, kcal/mol:	-207.54
Dipole, Da:	6.01
IP(EA), eV:	-8.64(0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-cyclohex-2-en-1-yl-8-phenylsulfanyl-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinoline

Drug info:

PubChemData

Smile

CC1=CC=CC=C1NC(=O)NCCCCC(CO)NC(=O)OC(C)(C)C

DOS

IR

Vibrations