Geometry & MOs

Info

ID:	387816
PubChem CID:	134987030
Reduced:	NOC11H13 (1)
Stoich.:	ABC11D13 (1)
Weight, g/mol:	217.121512
ΔH_f, kcal/mol:	-28.99
Dipole, Da:	3.17
IP(EA), eV:	-8.72(-0.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-ethyl-4-hydroxy-5-methyl-6-phenyl-3H-1,2,4-triazine

Drug info:

PubChemData

Smile

CC1=CCC2=C(C1)C(=O)N(C=C2)C

DOS

IR

Vibrations