Geometry & MOs

Info

ID:	216837
PubChem CID:	85086861
Reduced:	NSO4C15H17 (1)
Stoich.:	ABC4D15E17 (1)
Weight, g/mol:	307.178358
ΔH_f, kcal/mol:	-70.12
Dipole, Da:	5.07
IP(EA), eV:	-9.89(-0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl 2-[(2-methoxyphenoxy)methyl]pyrrolidine-1-carboxylate

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)S(=O)(=O)CCN2C(C(C2=O)OC)C#C

DOS

IR

Vibrations