Geometry & MOs

Info

ID:	353020
PubChem CID:	127284170
Reduced:	O3N4C20H22 (1)
Stoich.:	A3B4C20D22 (1)
Weight, g/mol:	356.14193
ΔH_f, kcal/mol:	-63.08
Dipole, Da:	1.56
IP(EA), eV:	-8.93(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1-methylbenzotriazol-5-yl)-[4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]methanone

Drug info:

PubChemData

Smile

CC1C(=O)NC2=CC=CC(=C2O1)C(=O)N3CCN(CC3)CC4=CN=CC=C4

DOS

IR

Vibrations