Geometry & MOs

Info

ID:	398547
PubChem CID:	135033781
Reduced:	NO2C22H25 (1)
Stoich.:	AB2C22D25 (1)
Weight, g/mol:	341.126323
ΔH_f, kcal/mol:	-29.97
Dipole, Da:	3.16
IP(EA), eV:	-8.99(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 5-[(3aR,8bS)-1,2,3a,4-tetrahydrofuro[2,3-b]indol-8b-yl]-3-hydroxy-2-methoxybenzoate

Drug info:

PubChemData

Smile

CCN(CC)/C(=C\C(=O)C1=CC=C(C=C1)C(=O)C)/C2=CC=CC(=C2)C

DOS

IR

Vibrations