Geometry & MOs

Info

ID:	235798
PubChem CID:	92710662
Reduced:	FN2O2C25H29 (1)
Stoich.:	AB2C2D25E29 (1)
Weight, g/mol:	410.176106
ΔH_f, kcal/mol:	-96.89
Dipole, Da:	10.32
IP(EA), eV:	-8.73(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C(=C(N1CC2=CC(=CC=C2)F)C)C(=O)O)CN[C@@H](C)CCC3=CC=CC=C3

DOS

IR

Vibrations