Geometry & MOs

Info

ID:	395958
PubChem CID:	135027027
Reduced:	O2C29H32 (1)
Stoich.:	A2B29C32 (1)
Weight, g/mol:	368.173607
ΔH_f, kcal/mol:	13.09
Dipole, Da:	1.2
IP(EA), eV:	-8.42(-0.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl (2S,3R,4S,5S)-4-nitro-3,5-diphenylpyrrolidine-2-carboxylate

Drug info:

PubChemData

Smile

C1CCC(CC1)C2=CC3=C(C=C2)OC4(C=C3)C=CC5=C(O4)C=CC(=C5)C6CCCCC6

DOS

IR

Vibrations