Geometry & MOs

Info

ID:	343509
PubChem CID:	127266682
Reduced:	O2N5C16H17 (1)
Stoich.:	A2B5C16D17 (1)
Weight, g/mol:	330.105208
ΔH_f, kcal/mol:	61.69
Dipole, Da:	4.79
IP(EA), eV:	-9.04(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[5-methyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]amino]-1-(1,2-oxazolidin-2-yl)ethanone

Drug info:

PubChemData

Smile

CC1=C(C(=NC=C1)N(C)CCC2=NC3=CC=CC=C3N2)[N+](=O)[O-]

DOS

IR

Vibrations