Geometry & MOs

Info

ID:	159296
PubChem CID:	57269505
Reduced:	NO3C29H39 (1)
Stoich.:	AB3C29D39 (1)
Weight, g/mol:	400.24023
ΔH_f, kcal/mol:	-122.03
Dipole, Da:	3.77
IP(EA), eV:	-8.24(0.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 4-(4,5,5,8,8-pentamethyl-6,7-dihydroanthracen-2-yl)benzoate

Drug info:

PubChemData

Smile

CC(=O)[C@]1(CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC(C4=CC(=O)CC[C@]34C)CN(C)C5=CC=CC=C5)C)O

DOS

IR

Vibrations