Geometry & MOs

Info

ID:	224689
PubChem CID:	85346892
Reduced:	O6C25H38 (1)
Stoich.:	A6B25C38 (1)
Weight, g/mol:	434.29647
ΔH_f, kcal/mol:	-239.9
Dipole, Da:	3.29
IP(EA), eV:	-9.45(0.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl 2-[[[2-(methoxymethyl)pyrrolidin-1-yl]-trimethylsilylamino]-phenylmethyl]butanoate

Drug info:

PubChemData

Smile

CC(=CC(=O)OCCC1(CCC2(O1)C3(C(C(C4C2(O4)C)O)C(CCC3=O)(C)C)C)C)C

DOS

IR

Vibrations