Geometry & MOs

Info

ID:	388667
PubChem CID:	134989817
Reduced:	ON4C7H12 (1)
Stoich.:	AB4C7D12 (1)
Weight, g/mol:	264.077789
ΔH_f, kcal/mol:	0.95
Dipole, Da:	4.57
IP(EA), eV:	-9.4(-0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCCN1C(=C(N=N1)C(=O)C)N

DOS

IR

Vibrations