Geometry & MOs

Info

ID:	139293
PubChem CID:	52504734
Reduced:	OSN4C20H20 (1)
Stoich.:	ABC4D20E20 (1)
Weight, g/mol:	370.236876
ΔH_f, kcal/mol:	101.14
Dipole, Da:	6.32
IP(EA), eV:	-9.2(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(1-methylimidazol-2-yl)methoxy]-N-[3-[(2S)-2-methylpiperidin-1-yl]propyl]benzamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C[C@H](C#N)SC2=NN=C(N2CC3=CC=CO3)C4CC4

DOS

IR

Vibrations