Geometry & MOs

Info

ID:	235804
PubChem CID:	92710674
Reduced:	N2O2C25H30 (1)
Stoich.:	A2B2C25D30 (1)
Weight, g/mol:	362.199428
ΔH_f, kcal/mol:	-62.48
Dipole, Da:	8.74
IP(EA), eV:	-8.5(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,5-dimethyl-1-phenyl-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)CCC3=CC=CC=C3)C

DOS

IR

Vibrations