Geometry & MOs

Info

ID:	201175
PubChem CID:	79500996
Reduced:	O2N3C16H23 (1)
Stoich.:	A2B3C16D23 (1)
Weight, g/mol:	216.137497
ΔH_f, kcal/mol:	-55.35
Dipole, Da:	4.14
IP(EA), eV:	-8.5(0.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4-methylphenyl)-5-propyltriazol-4-amine

Drug info:

PubChemData

Smile

CCOC1=C(C=CC(=C1)C2CN=C(N2C3CCCC3)N)O

DOS

IR

Vibrations