Geometry & MOs

Info

ID:	379556
PubChem CID:	134444556
Reduced:	NOPH28C39 (1)
Stoich.:	ABCD28E39 (1)
Weight, g/mol:	167.142248
ΔH_f, kcal/mol:	106.22
Dipole, Da:	7.02
IP(EA), eV:	-8.41(-0.93)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-ethyl-3-methyl-6-propan-2-yl-1,2-dihydro-1,2,4-triazine

Drug info:

PubChemData

Smile

CC1=C(P(=O)(C2=C1C=C3C(=C2)C4=CC=CC=C4N3C5=CC6=C(C=C5)C7=CC=CC=C7C=C6)C8=CC=CC=C8)/C=C\C=C

DOS

IR

Vibrations