Geometry & MOs

Info

ID:	187446
PubChem CID:	77572287
Reduced:	IN2O6C41H55 (1)
Stoich.:	AB2C6D41E55 (1)
Weight, g/mol:	346.189257
ΔH_f, kcal/mol:	-226.27
Dipole, Da:	5.59
IP(EA), eV:	-8.97(-1.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

benzyl 3-methyl-4-methylidene-3-[(2-methylpropan-2-yl)oxycarbonylamino]pyrrolidine-1-carboxylate

Drug info:

PubChemData

Smile

CCC1=C(N=C(O1)C2=CC=C(C=C2)C(C)C)COC3CCCC(C3)COC(C)(C)C(=O)O.CCC1=C(N=C(O1)C2=CC=C(C=C2)C(C)C)CI

DOS

IR

Vibrations