Geometry & MOs

Info

ID:	184651
PubChem CID:	77188704
Reduced:	O4C21H36 (1)
Stoich.:	A4B21C36 (1)
Weight, g/mol:	671.375448
ΔH_f, kcal/mol:	-225.72
Dipole, Da:	3.69
IP(EA), eV:	-9.97(0.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[2-[benzyl-[2-(4-nitrophenyl)ethyl]amino]-1-[tert-butyl(dimethyl)silyl]oxyethyl]-8-phenylmethoxy-3,4,4a,5,6,7,8,8a-octahydro-1H-quinolin-2-one

Drug info:

PubChemData

Smile

CCCCC(C)(CC=CC1C(C(=O)CC1=O)CCCCCCCO)O

DOS

IR

Vibrations