Geometry & MOs

Info

ID:	364793
PubChem CID:	127316131
Reduced:	O2N5C18H21 (1)
Stoich.:	A2B5C18D21 (1)
Weight, g/mol:	353.185175
ΔH_f, kcal/mol:	-36.23
Dipole, Da:	3.41
IP(EA), eV:	-9.14(-0.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[3-[4-(1H-imidazol-2-ylmethyl)piperazine-1-carbonyl]phenyl]pyrrolidin-2-one

Drug info:

PubChemData

Smile

C1CC(=O)NC2=C1C=C(C=C2)C(=O)N3CCN(CC3)CC4=NC=CN4

DOS

IR

Vibrations