Geometry & MOs

Info

ID:	235800
PubChem CID:	92710665
Reduced:	ClN2O2C24H27 (1)
Stoich.:	AB2C2D24E27 (1)
Weight, g/mol:	382.144806
ΔH_f, kcal/mol:	-54.75
Dipole, Da:	7.85
IP(EA), eV:	-8.74(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4-chlorophenyl)-2,5-dimethyl-4-[[[(1R)-1-phenylethyl]amino]methyl]pyrrole-3-carboxylic acid

Drug info:

PubChemData

Smile

CC1=C(C(=C(N1CC2=CC=CC=C2Cl)C)C(=O)O)CNC[C@@H](C)C3=CC=CC=C3

DOS

IR

Vibrations