Geometry & MOs

Info

ID:	31057
PubChem CID:	854327
Reduced:	NO5H17C19 (1)
Stoich.:	AB5C17D19 (1)
Weight, g/mol:	316.094688
ΔH_f, kcal/mol:	-130.03
Dipole, Da:	9.39
IP(EA), eV:	-9.02(-1.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1-acetyloxy-6-oxo-7,8,9,10-tetrahydrobenzo[c]chromen-3-yl) acetate

Drug info:

PubChemData

Smile

C[C@H](C(=O)O)NCC1=C2C(=C(C=C(O2)O)C3=CC=CC=C3)C=CC1=O

DOS

IR

Vibrations