Geometry & MOs

Info

ID:	126927
PubChem CID:	50984609
Reduced:	N3O3C16H23 (1)
Stoich.:	A3B3C16D23 (1)
Weight, g/mol:	387.146203
ΔH_f, kcal/mol:	-76.25
Dipole, Da:	6.8
IP(EA), eV:	-8.66(0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[[2-(4-chloro-2-methylphenyl)-5-(2-methylpropyl)-1,2,4-triazol-3-yl]methyl]-6-methyl-1H-pyrimidine-2,4-dione

Drug info:

PubChemData

Smile

CC1=NOC(C1)(C)CNCC(=O)NCC2=CC=CC=C2OC

DOS

IR

Vibrations