Geometry & MOs

Info

ID:	254530
PubChem CID:	103125902
Reduced:	ON2C13H22 (1)
Stoich.:	AB2C13D22 (1)
Weight, g/mol:	324.179755
ΔH_f, kcal/mol:	-70.43
Dipole, Da:	3.81
IP(EA), eV:	-8.54(0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 1-ethyl-5-[1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-2-yl]triazole-4-carboxylate

Drug info:

PubChemData

Smile

CC1(CC(CC(C1)(C)C)N2C=CNC2=O)C

DOS

IR

Vibrations