Geometry & MOs

Info

ID:	252735
PubChem CID:	103113657
Reduced:	N2O4C13H18 (1)
Stoich.:	A2B4C13D18 (1)
Weight, g/mol:	265.117489
ΔH_f, kcal/mol:	-99.07
Dipole, Da:	3.71
IP(EA), eV:	-10.12(-1.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 1-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]-5-propyltriazole-4-carboxylate

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1[N+](=O)[O-])CNC(=O)CCCCO

DOS

IR

Vibrations