Geometry & MOs

Info

ID:	23744
PubChem CID:	605773
Reduced:	O5H22C25 (1)
Stoich.:	A5B22C25 (1)
Weight, g/mol:	402.146724
ΔH_f, kcal/mol:	-113.26
Dipole, Da:	2.77
IP(EA), eV:	-8.47(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

phenanthren-9-ylmethyl 3,4,5-trimethoxybenzoate

Drug info:

PubChemData

Smile

COC1=CC(=CC(=C1OC)OC)C(=O)OCC2=CC3=CC=CC=C3C4=CC=CC=C42

DOS

IR

Vibrations