Geometry & MOs

Info

ID:	235802
PubChem CID:	92710671
Reduced:	N2O2C23H26 (1)
Stoich.:	A2B2C23D26 (1)
Weight, g/mol:	376.215078
ΔH_f, kcal/mol:	-49.05
Dipole, Da:	6.87
IP(EA), eV:	-8.58(-0.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations