Geometry & MOs

Info

ID:	192201
PubChem CID:	78242502
Reduced:	O5H26C32 (1)
Stoich.:	A5B26C32 (1)
Weight, g/mol:	368.125988
ΔH_f, kcal/mol:	-34.78
Dipole, Da:	4.2
IP(EA), eV:	-8.48(-1.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl (3-naphthalen-2-yloxy-4-oxo-4a,5,6,7,8,8a-hexahydrochromen-7-yl) carbonate

Drug info:

PubChemData

Smile

C1CC2C(CC1OC(=O)C3=CC=C(C=C3)C4=CC=CC=C4)OC=C(C2=O)OC5=CC6=CC=CC=C6C=C5

DOS

IR

Vibrations