Geometry & MOs

Info

ID:	353062
PubChem CID:	127284212
Reduced:	N2O3C20H26 (1)
Stoich.:	A2B3C20D26 (1)
Weight, g/mol:	398.177647
ΔH_f, kcal/mol:	-127.2
Dipole, Da:	4.29
IP(EA), eV:	-9.0(-0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]-(5-methylfuro[3,2-b]pyridin-2-yl)methanone

Drug info:

PubChemData

Smile

CC1C(=O)NC2=CC=CC(=C2O1)C(=O)N3CC4(CC3CC(C4)(C)C)C

DOS

IR

Vibrations