Geometry & MOs

Info

ID:	247819
PubChem CID:	103076162
Reduced:	ClN5C9H12 (1)
Stoich.:	AB5C9D12 (1)
Weight, g/mol:	283.083602
ΔH_f, kcal/mol:	64.48
Dipole, Da:	6.93
IP(EA), eV:	-9.45(-1.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-(5-chloro-6-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)morpholin-2-yl]methanol

Drug info:

PubChemData

Smile

CC1=C(N2C(=NC=N2)N=C1Cl)NC(C)C

DOS

IR

Vibrations