Geometry & MOs

Info

ID:	57078
PubChem CID:	22395307
Reduced:	N3O5C22H23 (1)
Stoich.:	A3B5C22D23 (1)
Weight, g/mol:	424.199822
ΔH_f, kcal/mol:	-108.82
Dipole, Da:	8.45
IP(EA), eV:	-8.49(-0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(=O)OC1=C(C=C(C=C1OC)C2C3=C(C=C(C=C3)N(C)C)OC(=C2C#N)N)OC

DOS

IR

Vibrations