Geometry & MOs

Info

ID:	205544
PubChem CID:	80119148
Reduced:	ClNO2C11H14 (1)
Stoich.:	ABC2D11E14 (1)
Weight, g/mol:	297.132471
ΔH_f, kcal/mol:	-48.01
Dipole, Da:	4.23
IP(EA), eV:	-8.91(-0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-methyl-2-[[(1-methyl-5-nitropyrrole-2-carbonyl)amino]methyl]pentanoic acid

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)CNC2COC2)Cl

DOS

IR

Vibrations