Geometry & MOs

Info

ID:	252714
PubChem CID:	103113524
Reduced:	O2N3C14H27 (1)
Stoich.:	A2B3C14D27 (1)
Weight, g/mol:	255.158292
ΔH_f, kcal/mol:	-128.94
Dipole, Da:	3.69
IP(EA), eV:	-9.26(0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 1-(5-hydroxypentyl)-5-propyltriazole-4-carboxylate

Drug info:

PubChemData

Smile

CCN(C)C(=O)C(C)NC(=O)CC1CCC(CC1)N

DOS

IR

Vibrations