Geometry & MOs

Info

ID:	155036
PubChem CID:	56314826
Reduced:	OS2N5C23H23 (1)
Stoich.:	AB2C5D23E23 (1)
Weight, g/mol:	442.24811
ΔH_f, kcal/mol:	97.7
Dipole, Da:	5.44
IP(EA), eV:	-8.78(-1.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-methyl-N-[3-[(2-propan-2-ylimidazol-1-yl)methyl]phenyl]-1-(2-propan-2-ylphenyl)-1,2,4-triazole-3-carboxamide

Drug info:

PubChemData

Smile

C1CN(CCN1CCC2=CC=CS2)C(=O)C3=CSC(=N3)C4=CN(N=C4)C5=CC=CC=C5

DOS

IR

Vibrations