Geometry & MOs

Info

ID:	430264
PubChem CID:	135170328
Reduced:	ClSO2N5C15H16 (1)
Stoich.:	ABC2D5E15F16 (1)
Weight, g/mol:	363.267448
ΔH_f, kcal/mol:	20.96
Dipole, Da:	5.75
IP(EA), eV:	-8.76(-0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-cyclopropyl-2,2-dimethyl-7-(4-pyrrolidin-1-ylbutyl)-1,3-dihydropyrrolo[3,2-c]quinoline

Drug info:

PubChemData

Smile

C1[C@@H]2CN(C[C@@H]2CN1C(=O)C3=NNN=C3)S(=O)C4=CC=CC=C4Cl

DOS

IR

Vibrations