Geometry & MOs

Info

ID:	336378
PubChem CID:	127255385
Reduced:	OCl2N2H4C7 (1)
Stoich.:	AB2C2D4E7 (1)
Weight, g/mol:	179.071306
ΔH_f, kcal/mol:	19.34
Dipole, Da:	5.05
IP(EA), eV:	-9.58(-1.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl (3R,4R)-4-methylpyrrolidine-3-carboxylate;hydrochloride

Drug info:

PubChemData

Smile

COC1=C(N=C(C(=C1)C#N)Cl)Cl

DOS

IR

Vibrations