Geometry & MOs

Info

ID:	312617
PubChem CID:	126606828
Reduced:	O6C19H24 (1)
Stoich.:	A6B19C24 (1)
Weight, g/mol:	513.233765
ΔH_f, kcal/mol:	-190.17
Dipole, Da:	1.55
IP(EA), eV:	-8.24(0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-[2-(1-methoxynaphthalen-2-yl)-2-phenyl-1,3-dioxolan-4-yl]ethenyl]-4-thiatricyclo[4.3.1.13,8]undecan-3-amine

Drug info:

PubChemData

Smile

COC1CC=C(C=C1OC)C2(OCCO2)C3=CC(=C(C=C3)OC)OC

DOS

IR

Vibrations