Geometry & MOs

Info

ID:	311603
PubChem CID:	126595464
Reduced:	FS2O4C28H31 (1)
Stoich.:	AB2C4D28E31 (1)
Weight, g/mol:	208.143645
ΔH_f, kcal/mol:	-148.86
Dipole, Da:	7.01
IP(EA), eV:	-8.96(-0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-amino-1-propan-2-yl-N'-[(Z)-prop-1-enyl]triazole-4-carboximidamide

Drug info:

PubChemData

Smile

CC(C)(C)C1=C(C=C(S1)COC2=CC=CC(=C2)C(CC(=O)O)SC3CC3)C4=C(C=CC(=C4)OC)F

DOS

IR

Vibrations