Geometry & MOs

Info

ID:	199959
PubChem CID:	79323300
Reduced:	BrClNO2C12H13 (1)
Stoich.:	ABCD2E12F13 (1)
Weight, g/mol:	288.111007
ΔH_f, kcal/mol:	3.68
Dipole, Da:	4.52
IP(EA), eV:	-9.89(-1.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C)C(=CC1=CC(=C(C=C1)Cl)[N+](=O)[O-])CBr

DOS

IR

Vibrations