Geometry & MOs

Info

ID:	171589
PubChem CID:	75399911
Reduced:	IO2N3C15H18 (1)
Stoich.:	AB2C3D15E18 (1)
Weight, g/mol:	305.104338
ΔH_f, kcal/mol:	-31.11
Dipole, Da:	3.61
IP(EA), eV:	-9.03(-0.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-chloro-N'-[(5-cyclopropyl-4-methyl-1,2,4-triazol-3-yl)methoxy]benzenecarboximidamide

Drug info:

PubChemData

Smile

CC1=C(C(=NN1CC(=O)NC2=CC=C(C=C2)I)C)CCO

DOS

IR

Vibrations