Geometry & MOs

Info

ID:	57113
PubChem CID:	22395354
Reduced:	ClON4H17C21 (1)
Stoich.:	ABC4D17E21 (1)
Weight, g/mol:	377.137556
ΔH_f, kcal/mol:	71.6
Dipole, Da:	9.57
IP(EA), eV:	-8.59(-0.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-(1,3-benzodioxol-4-yl)-3-cyano-7-(dimethylamino)-4H-chromen-2-yl]acetamide

Drug info:

PubChemData

Smile

CN(C)C1=CC2=C(C=C1)C(C(=C(O2)N)C#N)C3=CC4=CC=CC=C4N=C3Cl

DOS

IR

Vibrations