Geometry & MOs

Info

ID:	57105
PubChem CID:	22395343
Reduced:	N3O3H17C19 (1)
Stoich.:	A3B3C17D19 (1)
Weight, g/mol:	444.168522
ΔH_f, kcal/mol:	-37.2
Dipole, Da:	7.28
IP(EA), eV:	-8.48(-0.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[7-(dimethylamino)-2-imino-4-(7-methoxy-1,3-benzodioxol-5-yl)-3,4-dihydrochromen-3-yl]-phenylmethanone

Drug info:

PubChemData

Smile

CN(C)C1=CC2=C(C=C1)C(C(=C(O2)N)C#N)C3=CC=CC=C3C(=O)O

DOS

IR

Vibrations