Geometry & MOs

Info

ID:	227311
PubChem CID:	87561200
Reduced:	O3C21H38 (1)
Stoich.:	A3B21C38 (1)
Weight, g/mol:	336.089022
ΔH_f, kcal/mol:	-162.73
Dipole, Da:	1.81
IP(EA), eV:	-9.67(0.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5-chloro-6-phenyl-2-pyridin-2-yl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)methanamine

Drug info:

PubChemData

Smile

CCC1C(O1)C/C=C\CCCCCCCCCCCCC(=O)OC

DOS

IR

Vibrations