Geometry & MOs

Info

ID:	235803
PubChem CID:	92710672
Reduced:	NOC12H14 (2)
Stoich.:	ABC12D14 (2)
Weight, g/mol:	390.230728
ΔH_f, kcal/mol:	-50.39
Dipole, Da:	9.97
IP(EA), eV:	-8.76(-0.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)N2C(=C(C(=C2C)C(=O)O)CNC[C@H](C)C3=CC=CC=C3)C

DOS

IR

Vibrations