Geometry & MOs

Info

ID:	167869
PubChem CID:	74887772
Reduced:	OSN5C14H15 (1)
Stoich.:	ABC5D14E15 (1)
Weight, g/mol:	286.190595
ΔH_f, kcal/mol:	29.47
Dipole, Da:	5.06
IP(EA), eV:	-9.4(-1.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(3,5-dimethylpyrazolidin-4-yl)methyl]-4-(1,2,4-triazol-1-ylmethyl)aniline

Drug info:

PubChemData

Smile

C1CNC(NC1=O)SC2=C(C=NC3=CC=CC=C32)C(=N)N

DOS

IR

Vibrations