Geometry & MOs

Info

ID:	143433
PubChem CID:	53208322
Reduced:	FN2O4H21C25 (1)
Stoich.:	AB2C4D21E25 (1)
Weight, g/mol:	402.174356
ΔH_f, kcal/mol:	-111.15
Dipole, Da:	5.85
IP(EA), eV:	-8.75(-0.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(4-fluorophenyl)methyl]-3-[[(3-methylphenyl)methylamino]methyl]indole-2-carboxylic acid

Drug info:

PubChemData

Smile

C1OC2=C(O1)C=C(C=C2)CNCC3=C(N(C4=CC=CC=C43)CC5=CC=C(C=C5)F)C(=O)O

DOS

IR

Vibrations