Geometry & MOs

Info

ID:	318789
PubChem CID:	126653253
Reduced:	N2O7C18H34 (1)
Stoich.:	A2B7C18D34 (1)
Weight, g/mol:	429.133445
ΔH_f, kcal/mol:	-323.72
Dipole, Da:	4.65
IP(EA), eV:	-9.37(0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-1-[2-[[5-amino-6-(2,3-dichlorophenyl)-1,2,4-triazin-3-yl]amino]-2-methylpropoxy]-3-ethoxypropan-2-ol

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)N1CCN(CC1)C(=O)COCCOCCOCCOC

DOS

IR

Vibrations