Geometry & MOs

Info

ID:	143389
PubChem CID:	53202536
Reduced:	ON3C8H9 (2)
Stoich.:	AB3C8D9 (2)
Weight, g/mol:	380.196074
ΔH_f, kcal/mol:	34.78
Dipole, Da:	6.04
IP(EA), eV:	-8.8(-0.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC(=NC2=NN=C(N12)C)N3CCN(CC3)C(=O)C4=CC=CO4

DOS

IR

Vibrations