Geometry & MOs

Info

ID:	143435
PubChem CID:	53208835
Reduced:	ClN2O2H25C26 (1)
Stoich.:	AB2C2D25E26 (1)
Weight, g/mol:	476.211136
ΔH_f, kcal/mol:	-24.42
Dipole, Da:	5.33
IP(EA), eV:	-8.64(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[[2-(2,5-dimethoxyphenyl)ethylamino]methyl]-1-[(4-fluorophenyl)methyl]-6-methylindole-2-carboxylic acid

Drug info:

PubChemData

Smile

CC1=CC2=C(C=C1)C(=C(N2CC3=CC=CC=C3)C(=O)O)CNCCC4=CC=CC=C4Cl

DOS

IR

Vibrations