Geometry & MOs

Info

ID:	25816
PubChem CID:	631171
Reduced:	O6H18C19 (1)
Stoich.:	A6B18C19 (1)
Weight, g/mol:	343.16444
ΔH_f, kcal/mol:	-158.68
Dipole, Da:	3.33
IP(EA), eV:	-8.31(-0.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 4-[(4-amino-6-piperidin-1-yl-1,3,5-triazin-2-yl)methoxy]benzoate

Drug info:

PubChemData

Smile

COC1=CC2=C(C=C1)C(=O)C(=C(O2)C3=CC(=C(C=C3)OC)OC)OC

DOS

IR

Vibrations