Geometry & MOs

Info

ID:	359812
PubChem CID:	127299856
Reduced:	BrON7C15H18 (1)
Stoich.:	ABC7D15E18 (1)
Weight, g/mol:	361.06506
ΔH_f, kcal/mol:	91.56
Dipole, Da:	7.17
IP(EA), eV:	-8.98(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-[4-(4-bromopyrazol-1-yl)piperidin-1-yl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine

Drug info:

PubChemData

Smile

COCC1=NC2=NC=NN2C(=C1)N3CCC(CC3)N4C=C(C=N4)Br

DOS

IR

Vibrations