Geometry & MOs

Info

ID:	176328
PubChem CID:	76034622
Reduced:	N2O7C26H35 (1)
Stoich.:	A2B7C26D35 (1)
Weight, g/mol:	486.236601
ΔH_f, kcal/mol:	-228.08
Dipole, Da:	3.66
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.813048
Charge, e:	0

Chem-info

IUPAC name:

2-(2-morpholin-4-ylethyl)-1-(3,4,5-trimethoxyphenyl)-4a,5,6,7,8,8a-hexahydro-1H-chromeno[2,3-c]pyrrole-3,9-dione

Drug info:

PubChemData

Smile

COC1=CC(=CC(=C1OC)OC)C2C3=C(C(=O)N2CC[NH+]4CCOCC4)OC5CCCCC5C3=O

DOS

IR

Vibrations