Geometry & MOs

Info

ID:	143387
PubChem CID:	53201719
Reduced:	O2N4C15H18 (1)
Stoich.:	A2B4C15D18 (1)
Weight, g/mol:	421.270242
ΔH_f, kcal/mol:	-61.33
Dipole, Da:	1.34
IP(EA), eV:	-8.77(-0.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-(4-ethylpiperazin-1-yl)-5-methyl-2-[(4-pyridin-2-ylpiperazin-1-yl)methyl]-[1,2,4]triazolo[1,5-a]pyrimidine

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)NC(=O)CN2C(=O)C(=C(N=C2N)C)C

DOS

IR

Vibrations