Geometry & MOs

Info

ID:	282104
PubChem CID:	103916122
Reduced:	NSO3C17H27 (1)
Stoich.:	ABC3D17E27 (1)
Weight, g/mol:	383.10961
ΔH_f, kcal/mol:	-147.97
Dipole, Da:	2.11
IP(EA), eV:	-8.93(-0.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl 3-[(2-bromophenyl)methoxy]-3-ethylpyrrolidine-1-carboxylate

Drug info:

PubChemData

Smile

CCC1(CCN(C1)C(=O)OC(C)(C)C)OCCC2=CSC=C2

DOS

IR

Vibrations