Geometry & MOs

Info

ID:	419496
PubChem CID:	135108279
Reduced:	N3O3C21H25 (1)
Stoich.:	A3B3C21D25 (1)
Weight, g/mol:	356.196074
ΔH_f, kcal/mol:	-43.22
Dipole, Da:	6.21
IP(EA), eV:	-8.41(-0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(2S)-3-(1H-imidazol-5-yl)-1-[4-(3-methylpyridin-2-yl)piperazin-1-yl]-1-oxopropan-2-yl]acetamide

Drug info:

PubChemData

Smile

CC1=NOC(=C1)C[C@@H]2CN(C[C@@H]2OC)C(=O)CC3=CN(C4=CC=CC=C43)C

DOS

IR

Vibrations