Geometry & MOs

Info

ID:	69034
PubChem CID:	46516318
Reduced:	FO3N5C25H30 (1)
Stoich.:	AB3C5D25E30 (1)
Weight, g/mol:	491.190358
ΔH_f, kcal/mol:	-129.34
Dipole, Da:	1.68
IP(EA), eV:	-8.54(-0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[1-(3-fluorophenyl)-5-thiophen-2-yl-1,2,4-triazol-3-yl]-[4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]methanone

Drug info:

PubChemData

Smile

CCN1CCN(CC1)C2=C(C=C(C=C2)NC(=O)CN3C(=O)C(NC3=O)(C)C4=CC=C(C=C4)F)C

DOS

IR

Vibrations