Geometry & MOs

Info

ID:	39133
PubChem CID:	8139759
Reduced:	N2O5C21H30 (1)
Stoich.:	A2B5C21D30 (1)
Weight, g/mol:	345.18009
ΔH_f, kcal/mol:	-195.76
Dipole, Da:	2.4
IP(EA), eV:	-8.65(0.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4,6-diamino-1,3,5-triazin-2-yl)methyl 3-(4-tert-butylphenoxy)propanoate

Drug info:

PubChemData

Smile

CC(C)(C)C1=CC=C(C=C1)OCCC(=O)OCC(=O)N(C)CC(=O)NC2CC2

DOS

IR

Vibrations