Geometry & MOs

Info

ID:	124963
PubChem CID:	50905370
Reduced:	N5O8H21C23 (1)
Stoich.:	A5B8C21D23 (1)
Weight, g/mol:	291.183444
ΔH_f, kcal/mol:	-90.95
Dipole, Da:	6.34
IP(EA), eV:	-8.88(-1.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl (2S)-2-[(4-methoxyphenyl)methyl]pyrrolidine-1-carboxylate

Drug info:

PubChemData

Smile

CN(CCCN1C(=O)C2=C(C1=O)C(=CC=C2)[N+](=O)[O-])CCCN3C(=O)C4=C(C3=O)C(=CC=C4)[N+](=O)[O-]

DOS

IR

Vibrations