Geometry & MOs

Info

ID:	193232
PubChem CID:	78360149
Reduced:	BrNO5C23H28 (1)
Stoich.:	ABC5D23E28 (1)
Weight, g/mol:	505.246438
ΔH_f, kcal/mol:	-174.71
Dipole, Da:	1.9
IP(EA), eV:	-8.77(-0.97)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(3-ethoxy-4-phenylmethoxyphenyl)-2-(3-methoxypropyl)-4a,5,6,7,8,8a-hexahydro-1H-chromeno[2,3-c]pyrrole-3,9-dione

Drug info:

PubChemData

Smile

CCCOC1=CC=CC(=C1)C2C3=C(C(=O)N2CCOC)OC4CCC(CC4C3=O)Br

DOS

IR

Vibrations