Geometry & MOs

Info

ID:	425552
PubChem CID:	135126685
Reduced:	ClON7C17H18 (1)
Stoich.:	ABC7D17E18 (1)
Weight, g/mol:	271.132077
ΔH_f, kcal/mol:	59.78
Dipole, Da:	4.81
IP(EA), eV:	-9.33(-1.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

benzyl 4-methyl-6-propyl-1,3,5-triazine-2-carboxylate

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1NC2=CC(=NN=C2C(=O)NC)Cl)C3=NC(=NN3C)C

DOS

IR

Vibrations