Geometry & MOs

Info

ID:	199963
PubChem CID:	79324295
Reduced:	OBr3C13H15 (1)
Stoich.:	AB3C13D15 (1)
Weight, g/mol:	278.163043
ΔH_f, kcal/mol:	-19.89
Dipole, Da:	1.75
IP(EA), eV:	-9.41(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-[methyl-(2-methylcyclohexyl)amino]-2-oxoethyl]pyrrole-2-carboxylic acid

Drug info:

PubChemData

Smile

CCC(=CC1=CC(=C(C(=C1)Br)OCC)Br)CBr

DOS

IR

Vibrations