Geometry & MOs

Info

ID:	151506
PubChem CID:	53837739
Reduced:	NSO4C18H19 (1)
Stoich.:	ABC4D18E19 (1)
Weight, g/mol:	327.138992
ΔH_f, kcal/mol:	-121.36
Dipole, Da:	7.49
IP(EA), eV:	-9.73(-0.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[1-(2-chlorophenyl)cyclobutyl]-6-methoxy-1,2,3,4-tetrahydroisoquinoline

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)S(=O)(=O)NC2COC(=O)[C@H]2CC3=CC=CC=C3

DOS

IR

Vibrations