Geometry & MOs

Info

ID:	235801
PubChem CID:	92710666
Reduced:	ClN2O2C22H23 (1)
Stoich.:	AB2C2D22E23 (1)
Weight, g/mol:	362.199428
ΔH_f, kcal/mol:	-41.44
Dipole, Da:	6.52
IP(EA), eV:	-8.92(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C(=C(N1C2=CC=C(C=C2)Cl)C)C(=O)O)CN[C@H](C)C3=CC=CC=C3

DOS

IR

Vibrations