Geometry & MOs

Info

ID:	143438
PubChem CID:	53208971
Reduced:	N2O3C26H26 (1)
Stoich.:	A2B3C26D26 (1)
Weight, g/mol:	450.151034
ΔH_f, kcal/mol:	-50.26
Dipole, Da:	4.45
IP(EA), eV:	-8.4(-0.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(2-chloro-4-fluorophenyl)methyl]-6-methyl-3-[[(4-methylphenyl)methylamino]methyl]indole-2-carboxylic acid

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)CN2C3=CC=CC=C3C(=C2C(=O)O)CNCC4=CC=CC=C4OC

DOS

IR

Vibrations