Geometry & MOs

Info

ID:	235478
PubChem CID:	92709767
Reduced:	ON2C19H24 (1)
Stoich.:	AB2C19D24 (1)
Weight, g/mol:	362.163043
ΔH_f, kcal/mol:	-14.29
Dipole, Da:	5.36
IP(EA), eV:	-8.71(0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 4-[[(3R)-3-(2-methylphenyl)-3-pyrrol-1-ylpropanoyl]amino]benzoate

Drug info:

PubChemData

Smile

CC1=CC=CC=C1[C@@H](CC(=O)N2CCCCC2)N3C=CC=C3

DOS

IR

Vibrations