Geometry & MOs

Info

ID:	306096
PubChem CID:	125001636
Reduced:	N2O3C23H30 (1)
Stoich.:	A2B3C23D30 (1)
Weight, g/mol:	432.252526
ΔH_f, kcal/mol:	-99.9
Dipole, Da:	4.15
IP(EA), eV:	-9.46(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3R)-1-prop-2-enyl-3-[(3-pyridin-3-ylphenyl)methyl]-4-[(2S)-2-pyrrolidin-1-ylpropanoyl]piperazin-2-one

Drug info:

PubChemData

Smile

CC[C@H](CNC(=O)C1(CCOCC1)CC2=CC(=CC=C2)C3=CN=CC=C3)OC

DOS

IR

Vibrations