Geometry & MOs

Info

ID:	352894
PubChem CID:	127283984
Reduced:	O3N4C21H34 (1)
Stoich.:	A3B4C21D34 (1)
Weight, g/mol:	373.132094
ΔH_f, kcal/mol:	-132.7
Dipole, Da:	5.49
IP(EA), eV:	-8.98(0.12)
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]-[2-(1H-1,2,4-triazol-5-yl)-1,3-thiazol-4-yl]methanone

Drug info:

PubChemData

Smile

CC1=C(OC(=N1)CN2CCN(CC2)C(=O)C3CCCN(C3)C(=O)C(C)(C)C)C

DOS

IR

Vibrations