Geometry & MOs

Info

ID:	413414
PubChem CID:	135086363
Reduced:	NO2H13C14 (1)
Stoich.:	AB2C13D14 (1)
Weight, g/mol:	242.062618
ΔH_f, kcal/mol:	-5.16
Dipole, Da:	4.65
IP(EA), eV:	-9.14(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-benzylsulfanyl-6-ethynyl-1,3,5-triazin-2-amine

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)C(=C)C(=O)N2C=CC=C2

DOS

IR

Vibrations