Geometry & MOs

Info

ID:	398828
PubChem CID:	135035640
Reduced:	O4H13C14 (2)
Stoich.:	A4B13C14 (2)
Weight, g/mol:	272.141245
ΔH_f, kcal/mol:	-203.23
Dipole, Da:	11.39
IP(EA), eV:	-9.05(-1.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 2-(2,3,4,6-tetrahydro-1H-benzo[c]chromen-6-yl)acetate

Drug info:

PubChemData

Smile

C/C=C/C=C/C(=O)C[C@]12[C@H]([C@@H](C3=C1C(=C(C(=O)C3=O)C)O)C(=O)/C=C/C=C/C)C(=O)C(=C(C2=O)O)C

DOS

IR

Vibrations