Geometry & MOs

Info

ID:	173064
PubChem CID:	75592055
Reduced:	ON4C19H22 (1)
Stoich.:	AB4C19D22 (1)
Weight, g/mol:	221.152812
ΔH_f, kcal/mol:	27.06
Dipole, Da:	7.79
IP(EA), eV:	-9.34(-0.97)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

cyclohexyl-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)methanol

Drug info:

PubChemData

Smile

CC(C)(C)C1C2C(CC(=O)N=C2NN1)C3=CC=NC4=CC=CC=C34

DOS

IR

Vibrations