Geometry & MOs

Info

ID:	149255
PubChem CID:	53788927
Reduced:	O3C20H26 (1)
Stoich.:	A3B20C26 (1)
Weight, g/mol:	538.166621
ΔH_f, kcal/mol:	-129.45
Dipole, Da:	3.64
IP(EA), eV:	-9.34(0.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N'-[5-[2-(4-benzylpiperazin-1-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]-2-chlorophenyl]sulfonyl-N,N-dimethylmethanimidamide

Drug info:

PubChemData

Smile

CC1=CC(C(=O)CCC1)(CC2=CC=CC=C2)C(=O)OC(C)(C)C

DOS

IR

Vibrations