Geometry & MOs

Info

ID:	199967
PubChem CID:	79325074
Reduced:	N3O3C14H23 (1)
Stoich.:	A3B3C14D23 (1)
Weight, g/mol:	272.116092
ΔH_f, kcal/mol:	-123.84
Dipole, Da:	7.53
IP(EA), eV:	-9.04(-0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-[(3-methylphenyl)methylamino]-2-oxoethyl]pyrrole-2-carboxylic acid

Drug info:

PubChemData

Smile

CCN(CC)CCCNC(=O)C1=CC=CN1CC(=O)O

DOS

IR

Vibrations