Geometry & MOs

Info

ID:	352891
PubChem CID:	127283981
Reduced:	SN4O4C17H28 (1)
Stoich.:	AB4C4D17E28 (1)
Weight, g/mol:	394.211724
ΔH_f, kcal/mol:	-148.81
Dipole, Da:	8.91
IP(EA), eV:	-9.13(0.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(OC(=N1)CN2CCN(CC2)C(=O)CN(C)C3CCS(=O)(=O)C3)C

DOS

IR

Vibrations