Geometry & MOs

Info

ID:	282109
PubChem CID:	103916148
Reduced:	NSO5C15H29 (1)
Stoich.:	ABC5D15E29 (1)
Weight, g/mol:	309.205242
ΔH_f, kcal/mol:	-265.76
Dipole, Da:	4.4
IP(EA), eV:	-9.63(0.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl 3-ethyl-3-[(1-methylpyrazol-4-yl)methoxy]pyrrolidine-1-carboxylate

Drug info:

PubChemData

Smile

CCC1(CCN(C1)C(=O)OC(C)(C)C)OCCCS(=O)(=O)C

DOS

IR

Vibrations