Geometry & MOs

Info

ID:	48300
PubChem CID:	10538735
Reduced:	NOC16H29 (1)
Stoich.:	ABC16D29 (1)
Weight, g/mol:	252.078644
ΔH_f, kcal/mol:	-89.17
Dipole, Da:	2.32
IP(EA), eV:	-8.43(2.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(3-methoxyphenyl)chromen-2-one

Drug info:

PubChemData

Smile

CC[C@@H]1CCN2[C@H]1O[C@@H]3C[C@@H](CC[C@H]3C2(C)C)C

DOS

IR

Vibrations