Geometry & MOs

Info

ID:	4717
PubChem CID:	11912
Reduced:	NO3C20H21 (1)
Stoich.:	AB3C20D21 (1)
Weight, g/mol:	323.152144
ΔH_f, kcal/mol:	-57.77
Dipole, Da:	5.14
IP(EA), eV:	-8.9(-0.93)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-[3-(dimethylamino)propoxy]-2-phenylchromen-4-one

Drug info:

PubChemData

Smile

CN(C)CCCOC1=CC2=C(C=C1)C(=O)C=C(O2)C3=CC=CC=C3

DOS

IR

Vibrations