Geometry & MOs

Info

ID:	143432
PubChem CID:	53208269
Reduced:	N2O2H10C11 (2)
Stoich.:	A2B2C10D11 (2)
Weight, g/mol:	432.148535
ΔH_f, kcal/mol:	-19.33
Dipole, Da:	5.12
IP(EA), eV:	-7.78(-1.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(1,3-benzodioxol-5-ylmethylamino)methyl]-1-[(4-fluorophenyl)methyl]indole-2-carboxylic acid

Drug info:

PubChemData

Smile

CCOC(=O)C1=CC(=CC=C1)N=C2/C(=C\3/C=CC(=O)C(=C3)OC)/NC4=CNC=CN42

DOS

IR

Vibrations