Geometry & MOs

Info

ID:	38883
PubChem CID:	8138104
Reduced:	O3N4C16H18 (1)
Stoich.:	A3B4C16D18 (1)
Weight, g/mol:	303.133139
ΔH_f, kcal/mol:	-69.72
Dipole, Da:	4.76
IP(EA), eV:	-9.45(-0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4,6-diamino-1,3,5-triazin-2-yl)methyl 2-(3,4-dimethylphenoxy)acetate

Drug info:

PubChemData

Smile

CC(=O)N[C@H](CC(=O)NNC(=O)C1=CC=CN1)C2=CC=CC=C2

DOS

IR

Vibrations