Geometry & MOs

Info

ID:	126163
PubChem CID:	50954005
Reduced:	OSN5C18H21 (1)
Stoich.:	ABC5D18E21 (1)
Weight, g/mol:	203.117095
ΔH_f, kcal/mol:	48.75
Dipole, Da:	2.65
IP(EA), eV:	-9.12(-1.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[1-(imidazol-1-ylmethyl)cyclopropyl]-5-methyl-1H-1,2,4-triazole

Drug info:

PubChemData

Smile

CCC1=NN=C(S1)CNC(=O)C2=CC=C(C=C2)CN3C(=CC(=N3)C)C

DOS

IR

Vibrations