Geometry & MOs

Info

ID:	361837
PubChem CID:	127304808
Reduced:	OSN5C15H21 (1)
Stoich.:	ABC5D15E21 (1)
Weight, g/mol:	396.173231
ΔH_f, kcal/mol:	22.56
Dipole, Da:	2.58
IP(EA), eV:	-9.02(-0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CN(N=C1)CC(=O)N2CCN(CC2)CC3=CN=C(S3)C

DOS

IR

Vibrations