Geometry & MOs

Info

ID:	251524
PubChem CID:	103104619
Reduced:	O2N3C16H19 (1)
Stoich.:	A2B3C16D19 (1)
Weight, g/mol:	289.142641
ΔH_f, kcal/mol:	-20.02
Dipole, Da:	5.29
IP(EA), eV:	-9.82(-0.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 1-butan-2-yl-5-(2-methoxyphenyl)triazole-4-carboxylate

Drug info:

PubChemData

Smile

CCOC(=O)C1=C(N(N=N1)C2CCCC2)C3=CC=CC=C3

DOS

IR

Vibrations