Geometry & MOs

Info

ID:	411739
PubChem CID:	135084573
Reduced:	N2O2H30C33 (1)
Stoich.:	A2B2C30D33 (1)
Weight, g/mol:	400.215078
ΔH_f, kcal/mol:	46.57
Dipole, Da:	3.86
IP(EA), eV:	-8.17(-1.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5S)-3-ethyl-5-(6-phenylmethoxyquinolin-4-yl)-4-oxa-1-azatricyclo[4.4.0.03,8]decane

Drug info:

PubChemData

Smile

C=CC1CN2CCC1CC2[C@H](C3=C4C=C(C=CC4=NC=C3)O)OC5=C6C=CC=CC6=CC7=CC=CC=C75

DOS

IR

Vibrations