Geometry & MOs

Info

ID:	138626
PubChem CID:	52398150
Reduced:	N3O4C18H23 (1)
Stoich.:	A3B4C18D23 (1)
Weight, g/mol:	345.168856
ΔH_f, kcal/mol:	-129.57
Dipole, Da:	4.51
IP(EA), eV:	-9.07(-0.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(3S)-4-(furan-2-ylmethyl)-3-(2-hydroxyethyl)piperazine-1-carbonyl]-6-methyl-1H-pyridin-2-one

Drug info:

PubChemData

Smile

CC1=CC(=CC(=O)N1)C(=O)N2CCN([C@@H](C2)CCO)CC3=CC=CO3

DOS

IR

Vibrations