Geometry & MOs

Info

ID:	243402
PubChem CID:	99222755
Reduced:	IN2O2C20H23 (1)
Stoich.:	AB2C2D20E23 (1)
Weight, g/mol:	367.16444
ΔH_f, kcal/mol:	-43.25
Dipole, Da:	1.92
IP(EA), eV:	-9.49(-1.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5R)-N-ethyl-N-(6-methoxypyridin-3-yl)-5-methyl-6-oxo-1-phenyl-2,5-dihydro-1,2,4-triazine-3-carboxamide

Drug info:

PubChemData

Smile

CCCC1=CC=C(C=C1)[C@H](C)N(CC(=O)N)C(=O)C2=CC(=CC=C2)I

DOS

IR

Vibrations