Geometry & MOs

Info

ID:	125216
PubChem CID:	50915414
Reduced:	NO2C17H23 (1)
Stoich.:	AB2C17D23 (1)
Weight, g/mol:	417.241627
ΔH_f, kcal/mol:	-83.76
Dipole, Da:	5.26
IP(EA), eV:	-8.39(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl (3R,5R,7R,7aS)-1-benzyl-7-cyano-7-methyl-3-phenyl-3,5,6,7a-tetrahydro-2H-pyrrolo[1,2-a]imidazole-5-carboxylate

Drug info:

PubChemData

Smile

CCCCCCCCC1=C(C(=O)C2=CC=CC=C2N1)O

DOS

IR

Vibrations