Geometry & MOs

Info

ID:	305906
PubChem CID:	124974036
Reduced:	N2O3C20H22 (1)
Stoich.:	A2B3C20D22 (1)
Weight, g/mol:	367.121529
ΔH_f, kcal/mol:	-62.67
Dipole, Da:	6.1
IP(EA), eV:	-8.66(-0.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2S)-2-[2-(pyrazin-2-ylamino)-1,3-thiazol-4-yl]piperidin-1-yl]-pyridazin-3-ylmethanone

Drug info:

PubChemData

Smile

CC1=CC=C(O1)C(=O)N2CCOC[C@H](C2)CC3=CC4=C(C=C3)NC=C4

DOS

IR

Vibrations