Geometry & MOs

Info

ID:	252027
PubChem CID:	103108559
Reduced:	NO2C7H12 (2)
Stoich.:	AB2C7D12 (2)
Weight, g/mol:	291.169525
ΔH_f, kcal/mol:	-151.88
Dipole, Da:	4.33
IP(EA), eV:	-9.23(0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 1-[(3-methylimidazol-4-yl)methyl]-5-(2-methylpropyl)triazole-4-carboxylate

Drug info:

PubChemData

Smile

CCN(C)C(=O)C(C)NCC(COCC1=CC=CO1)O

DOS

IR

Vibrations