Geometry & MOs

Info

ID:	381918
PubChem CID:	134972782
Reduced:	ClNO5C20H20 (1)
Stoich.:	ABC5D20E20 (1)
Weight, g/mol:	320.198759
ΔH_f, kcal/mol:	-109.91
Dipole, Da:	0.83
IP(EA), eV:	-9.89(-1.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 4-[(2R)-6-methoxy-2,5,7,8-tetramethyl-3,4-dihydrochromen-2-yl]butanoate

Drug info:

PubChemData

Smile

CC(C)(C)[C@@H]1OC(=O)[C@](O1)(CC2=C(C=CC=C2Cl)[N+](=O)[O-])C3=CC=CC=C3

DOS

IR

Vibrations