Geometry & MOs

Info

ID:	126305
PubChem CID:	50959066
Reduced:	O3N4C18H24 (1)
Stoich.:	A3B4C18D24 (1)
Weight, g/mol:	309.147727
ΔH_f, kcal/mol:	-73.29
Dipole, Da:	2.91
IP(EA), eV:	-8.51(-0.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-butan-2-yl-6-oxo-N-(3-phenylprop-2-ynyl)-1H-pyrazine-3-carboxamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)NC(=O)CC(=O)N(C)CCC2=NOC(=N2)C(C)C

DOS

IR

Vibrations