Geometry & MOs

Info

ID:	247836
PubChem CID:	103076966
Reduced:	ClON5C12H16 (1)
Stoich.:	ABC5D12E16 (1)
Weight, g/mol:	295.119988
ΔH_f, kcal/mol:	27.67
Dipole, Da:	4.88
IP(EA), eV:	-9.75(-1.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(N2C(=NC=N2)N=C1Cl)NC(C)C3CCOC3

DOS

IR

Vibrations