Geometry & MOs

Info

ID:	193019
PubChem CID:	78337555
Reduced:	OSN3H25C30 (1)
Stoich.:	ABC3D25E30 (1)
Weight, g/mol:	441.251523
ΔH_f, kcal/mol:	103.79
Dipole, Da:	2.69
IP(EA), eV:	-8.18(-1.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4-methoxyphenyl)-6,7-dimethyl-2-(3-propan-2-yloxypropyl)-4a,5,6,7,8,8a-hexahydro-1H-chromeno[2,3-c]pyrrole-3,9-dione

Drug info:

PubChemData

Smile

C1CCC2=C(C1)C3C(=NC(=NC3=O)C=CC4=CC=C(C=C4)N(C5=CC=CC=C5)C6=CC=CC=C6)S2

DOS

IR

Vibrations