Geometry & MOs

Info

ID:	252972
PubChem CID:	103115260
Reduced:	O2N5C14H21 (1)
Stoich.:	A2B5C14D21 (1)
Weight, g/mol:	293.148789
ΔH_f, kcal/mol:	-9.53
Dipole, Da:	7.55
IP(EA), eV:	-9.45(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 1-(5-hydroxypentyl)-5-(1-methylpyrazol-4-yl)triazole-4-carboxylate

Drug info:

PubChemData

Smile

CCCC(C)CN1C(=C(N=N1)C(=O)OC)C2=CN(N=C2)C

DOS

IR

Vibrations