Geometry & MOs

Info

ID:	143388
PubChem CID:	53202413
Reduced:	N9C22H31 (1)
Stoich.:	A9B22C31 (1)
Weight, g/mol:	326.149124
ΔH_f, kcal/mol:	117.6
Dipole, Da:	4.05
IP(EA), eV:	-8.31(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-(3,5-dimethyl-[1,2,4]triazolo[4,3-a]pyrimidin-7-yl)piperazin-1-yl]-(furan-2-yl)methanone

Drug info:

PubChemData

Smile

CCN1CCN(CC1)C2=CC(=NC3=NC(=NN23)CN4CCN(CC4)C5=CC=CC=N5)C

DOS

IR

Vibrations