Geometry & MOs

Info

ID:	167910
PubChem CID:	74895843
Reduced:	O3N5C16H19 (1)
Stoich.:	A3B5C16D19 (1)
Weight, g/mol:	443.230788
ΔH_f, kcal/mol:	-36.04
Dipole, Da:	4.38
IP(EA), eV:	-9.3(-1.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(3,4-diethoxyphenyl)-2-(3-hydroxypropyl)-7-methyl-4a,5,6,7,8,8a-hexahydro-1H-chromeno[2,3-c]pyrrole-3,9-dione

Drug info:

PubChemData

Smile

C1CC(=O)C2=C1C3C(=NC(=NC3=O)NCCN4CCOCC4)N=C2

DOS

IR

Vibrations