Geometry & MOs

Info

ID:	177309
PubChem CID:	76165249
Reduced:	N3O4C27H33 (1)
Stoich.:	A3B4C27D33 (1)
Weight, g/mol:	491.187878
ΔH_f, kcal/mol:	-65.47
Dipole, Da:	9.14
IP(EA), eV:	-8.49(-0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[1-(benzenesulfonyl)-4-(hydroxymethyl)-2,3,3a,4,5,9b-hexahydropyrrolo[3,2-c]quinolin-8-yl]-N,N-dimethylbenzamide

Drug info:

PubChemData

Smile

CN(C)C(=O)C1=CC=CC(=C1)C2=CC3=C(C=C2)NC(C4C3N(CC4)C(=O)C5CCOCC5)CO

DOS

IR

Vibrations