Geometry & MOs

Info

ID:	322174
PubChem CID:	126669061
Reduced:	NO3C11H13 (1)
Stoich.:	AB3C11D13 (1)
Weight, g/mol:	387.128502
ΔH_f, kcal/mol:	-106.97
Dipole, Da:	3.56
IP(EA), eV:	-9.45(-0.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-1-[2-[(5-amino-6-chloro-1,2,4-triazin-3-yl)methylamino]-2-methylpropoxy]-3-(2,2,2-trifluoroethoxy)propan-2-ol

Drug info:

PubChemData

Smile

CCN(C1=CC=CC=C1C)C(=O)OC=O

DOS

IR

Vibrations