Geometry & MOs

Info

ID:	399682
PubChem CID:	135041746
Reduced:	OC12H18 (1)
Stoich.:	AB12C18 (1)
Weight, g/mol:	230.035924
ΔH_f, kcal/mol:	-52.87
Dipole, Da:	4.17
IP(EA), eV:	-9.88(0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-chloro-3-phenyl-[1,2,4]triazolo[4,3-c]pyrimidine

Drug info:

PubChemData

Smile

CC1(CCC[C@H]2[C@]13C2C(=O)CC3)C

DOS

IR

Vibrations