Geometry & MOs

Info

ID:	31099
PubChem CID:	854502
Reduced:	NO3C9H17 (1)
Stoich.:	AB3C9D17 (1)
Weight, g/mol:	334.01635
ΔH_f, kcal/mol:	-134.66
Dipole, Da:	4.24
IP(EA), eV:	-9.65(0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-[(3,4-dichlorophenyl)methoxy]-4-methylchromen-2-one

Drug info:

PubChemData

Smile

CC1(C[C@H](C(N1O)(C)C)C(=O)O)C

DOS

IR

Vibrations