Geometry & MOs

Info

ID:	133484
PubChem CID:	51534175
Reduced:	O3N5C25H39 (1)
Stoich.:	A3B5C25D39 (1)
Weight, g/mol:	371.220892
ΔH_f, kcal/mol:	-167.39
Dipole, Da:	6.06
IP(EA), eV:	-9.01(-0.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(4aR,8aS)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-[1-(2-nitrophenyl)piperidin-4-yl]methanone

Drug info:

PubChemData

Smile

CCCCN1C2=C(C(=O)NC1=O)N(C(=N2)CCC(=O)N3CCC[C@@H]4[C@@H]3CCCC4)CC(C)C

DOS

IR

Vibrations