Geometry & MOs

Info

ID:	407613
PubChem CID:	135080362
Reduced:	ON2C7H8 (1)
Stoich.:	AB2C7D8 (1)
Weight, g/mol:	244.132411
ΔH_f, kcal/mol:	18.55
Dipole, Da:	5.09
IP(EA), eV:	-10.64(-0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(4,6-dimethyl-1,3,5-triazin-2-yl)amino]-1-phenylethanol

Drug info:

PubChemData

Smile

CC(CCC=O)(C#N)C#N

DOS

IR

Vibrations