Geometry & MOs

Info

ID:	123466
PubChem CID:	50848944
Reduced:	N4O4C25H28 (1)
Stoich.:	A4B4C25D28 (1)
Weight, g/mol:	325.099731
ΔH_f, kcal/mol:	-83.15
Dipole, Da:	4.87
IP(EA), eV:	-9.12(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(pyridin-4-ylmethyl)-N-[2-(1,3-thiazol-4-yl)ethyl]pyrazine-2-carboxamide

Drug info:

PubChemData

Smile

COC1=CC=CC(=C1)C(=O)N2CCC(CC2)C3=CC4=C(C=NN4C=C3)C(=O)N5CCOCC5

DOS

IR

Vibrations