Geometry & MOs

Info

ID:	427375
PubChem CID:	135157882
Reduced:	O5C31H32 (1)
Stoich.:	A5B31C32 (1)
Weight, g/mol:	402.183109
ΔH_f, kcal/mol:	-168.09
Dipole, Da:	1.4
IP(EA), eV:	-8.92(-0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[9-(2-methoxy-2-oxoethyl)-7-methylbenzo[a]phenalen-7-yl] 2,2-dimethylpropanoate

Drug info:

PubChemData

Smile

CC1(C2=CC=CC=C2C=CC3=CC=CC=C31)OC(=O)C4C5CC6C4C(=O)CC6C5OC(=O)C(C)(C)C

DOS

IR

Vibrations