Geometry & MOs

Info

ID:	28198
PubChem CID:	826204
Reduced:	NO2C11H15 (1)
Stoich.:	AB2C11D15 (1)
Weight, g/mol:	224.084416
ΔH_f, kcal/mol:	-74.02
Dipole, Da:	6.41
IP(EA), eV:	-9.16(-0.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-(dimethylamino)-6-methylsulfanyl-1,3,5-triazin-2-yl]-methylcyanamide

Drug info:

PubChemData

Smile

CC1=CC(=CC(=C1N(C)C)C)C(=O)O

DOS

IR

Vibrations