Geometry & MOs

Info

ID:	235805
PubChem CID:	92710676
Reduced:	N2O2C23H26 (1)
Stoich.:	A2B2C23D26 (1)
Weight, g/mol:	376.215078
ΔH_f, kcal/mol:	-37.3
Dipole, Da:	7.74
IP(EA), eV:	-8.86(-0.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations