Geometry & MOs

Info

ID:	292270
PubChem CID:	114786767
Reduced:	ON5C14H19 (1)
Stoich.:	AB5C14D19 (1)
Weight, g/mol:	287.126991
ΔH_f, kcal/mol:	27.36
Dipole, Da:	6.31
IP(EA), eV:	-8.56(-0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(5,6-dimethyl-1,2,4-triazin-3-yl)-3-(2-methoxyphenyl)propanoic acid

Drug info:

PubChemData

Smile

CC1CC=CCC1COC2=NC(=NC3=C2NC=N3)NC

DOS

IR

Vibrations