Geometry & MOs

Info

ID:	383052
PubChem CID:	134974554
Reduced:	ClION3H11C15 (1)
Stoich.:	ABCD3E11F15 (1)
Weight, g/mol:	243.125929
ΔH_f, kcal/mol:	44.2
Dipole, Da:	1.51
IP(EA), eV:	-9.64(-1.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3Z,4R)-1-benzyl-3-(cyclopropylmethylidene)-4-hydroxypyrrolidin-2-one

Drug info:

PubChemData

Smile

CC(C1=NC2=C(C=CC=N2)C(=O)N1C3=CC=C(C=C3)I)Cl

DOS

IR

Vibrations