Geometry & MOs

Info

ID:	192227
PubChem CID:	78248172
Reduced:	NO6C21H25 (1)
Stoich.:	AB6C21D25 (1)
Weight, g/mol:	399.204573
ΔH_f, kcal/mol:	-217.43
Dipole, Da:	2.0
IP(EA), eV:	-8.63(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

COC1=C(C=CC(=C1)C2C3=C(C(=O)N2CCCO)OC4CCCCC4C3=O)O

DOS

IR

Vibrations