Geometry & MOs

Info

ID:	251623
PubChem CID:	103105401
Reduced:	O2N3C16H27 (1)
Stoich.:	A2B3C16D27 (1)
Weight, g/mol:	283.189592
ΔH_f, kcal/mol:	-83.05
Dipole, Da:	4.76
IP(EA), eV:	-10.12(-0.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 1-(3-methoxy-3-methylbutyl)-5-propan-2-yltriazole-4-carboxylate

Drug info:

PubChemData

Smile

CCOC(=O)C1=C(N(N=N1)C2CCC(C(C2)C)C)C(C)C

DOS

IR

Vibrations