Geometry & MOs

Info

ID:	141046
PubChem CID:	52809164
Reduced:	ClO2N6C23H25 (1)
Stoich.:	AB2C6D23E25 (1)
Weight, g/mol:	418.258006
ΔH_f, kcal/mol:	8.31
Dipole, Da:	8.78
IP(EA), eV:	-8.12(-1.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-3-methyl-2-[[(2S)-oxolan-2-yl]methoxy]-N-[3-oxo-3-(4-pyridin-2-ylpiperazin-1-yl)propyl]butanamide

Drug info:

PubChemData

Smile

CC1=NC(=NN1C2=CC=CC=C2Cl)C(=O)NCCC(=O)N3CCN(CC3)C4=CC=CC=C4

DOS

IR

Vibrations