Geometry & MOs

Info

ID:	143391
PubChem CID:	53202580
Reduced:	OSN6C18H22 (1)
Stoich.:	ABC6D18E22 (1)
Weight, g/mol:	407.206973
ΔH_f, kcal/mol:	52.36
Dipole, Da:	6.37
IP(EA), eV:	-8.83(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-[4-(3-ethyl-5-methyl-[1,2,4]triazolo[4,3-a]pyrimidin-7-yl)piperazine-1-carbonyl]phenyl]acetamide

Drug info:

PubChemData

Smile

CCC1=NN=C2N1C(=CC(=N2)N3CCN(CC3)C(=O)CC4=CC=CS4)C

DOS

IR

Vibrations