Geometry & MOs

Info

ID:	404493
PubChem CID:	135066551
Reduced:	NOH11C12 (2)
Stoich.:	ABC11D12 (2)
Weight, g/mol:	333.194008
ΔH_f, kcal/mol:	0.04
Dipole, Da:	7.28
IP(EA), eV:	-8.75(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl 2-[(2-methoxycarbonylphenyl)methyl]-3-methylpyrrolidine-1-carboxylate

Drug info:

PubChemData

Smile

CN1C[C@H](N(C1=O)C2=CC=CC=C2)CC3=CC=C(C=C3)C(=O)C4=CC=CC=C4

DOS

IR

Vibrations