Geometry & MOs

Info

ID:	139008
PubChem CID:	52457356
Reduced:	N3O4C23H29 (1)
Stoich.:	A3B4C23D29 (1)
Weight, g/mol:	426.19032
ΔH_f, kcal/mol:	-139.96
Dipole, Da:	5.48
IP(EA), eV:	-8.43(-0.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(furan-2-carbonyl)-N-[4-methoxy-3-(2-oxopiperidin-1-yl)phenyl]piperazine-1-carboxamide

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)OC)[C@H](C)NC(=O)NC2=CC(=C(C=C2)OC)N3CCCCC3=O

DOS

IR

Vibrations