Geometry & MOs

Info

ID:	355039
PubChem CID:	127287900
Reduced:	O2N3C14H19 (1)
Stoich.:	A2B3C14D19 (1)
Weight, g/mol:	251.163377
ΔH_f, kcal/mol:	-64.55
Dipole, Da:	7.13
IP(EA), eV:	-9.85(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5R)-5-[4-(cyclopropylmethyl)piperazine-1-carbonyl]pyrrolidin-2-one

Drug info:

PubChemData

Smile

CC(C)N(CC1=CN=CC=C1)C(=O)[C@H]2CCC(=O)N2

DOS

IR

Vibrations