Geometry & MOs

Info

ID:	388750
PubChem CID:	134990091
Reduced:	ON4C13H16 (1)
Stoich.:	AB4C13D16 (1)
Weight, g/mol:	244.132411
ΔH_f, kcal/mol:	32.81
Dipole, Da:	4.46
IP(EA), eV:	-9.4(-0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5-amino-1-propyltriazol-4-yl)-(4-methylphenyl)methanone

Drug info:

PubChemData

Smile

CCCCN1C(=C(N=N1)C(=O)C2=CC=CC=C2)N

DOS

IR

Vibrations