Geometry & MOs

Info

ID:	427379
PubChem CID:	135157913
Reduced:	O2C19H26 (1)
Stoich.:	A2B19C26 (1)
Weight, g/mol:	372.136159
ΔH_f, kcal/mol:	-112.66
Dipole, Da:	2.65
IP(EA), eV:	-9.21(0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[10-(2-methoxy-2-oxoethyl)-7H-benzo[b]phenalen-7-yl] 2-methylprop-2-enoate

Drug info:

PubChemData

Smile

CC(C)(C)C(=O)OC1CC2(CCCC2)CC3=CC=CC=C13

DOS

IR

Vibrations