Geometry & MOs

Info

ID:	430252
PubChem CID:	135170316
Reduced:	NSO2C12H19 (1)
Stoich.:	ABC2D12E19 (1)
Weight, g/mol:	377.283098
ΔH_f, kcal/mol:	-67.39
Dipole, Da:	3.83
IP(EA), eV:	-9.11(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(cyclobutylmethyl)-7-(4-pyrrolidin-1-ylbutyl)-2,3-dihydro-1H-cyclopenta[c]quinolin-4-amine

Drug info:

PubChemData

Smile

C1CC2C(C1)C(NCC3C4C(S4)CC2O3)O

DOS

IR

Vibrations