Geometry & MOs

Info

ID:	317726
PubChem CID:	126645438
Reduced:	N2O3C22H26 (1)
Stoich.:	A2B3C22D26 (1)
Weight, g/mol:	392.246378
ΔH_f, kcal/mol:	-83.11
Dipole, Da:	1.33
IP(EA), eV:	-8.06(0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 1-[3-(3,3-dimethyl-6-propan-2-yl-2,4-dihydroquinolin-1-yl)phenyl]azetidine-3-carboxylate

Drug info:

PubChemData

Smile

CC1=CC2=C(C=C1)N(CC(O2)(C)C)C3=CC=CC(=C3)N4CC(C4)C(=O)OC

DOS

IR

Vibrations