Geometry & MOs

Info

ID:	194188
PubChem CID:	78496501
Reduced:	OCl2N4C16H16 (1)
Stoich.:	AB2C4D16E16 (1)
Weight, g/mol:	196.132411
ΔH_f, kcal/mol:	14.59
Dipole, Da:	4.37
IP(EA), eV:	-8.71(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-tert-butyl-3-(ethylamino)-6H-1,2,4-triazin-5-one

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)CC2C(=O)NC(NN2)NC3=C(C=C(C=C3)Cl)Cl

DOS

IR

Vibrations