Geometry & MOs

Info

ID:	177308
PubChem CID:	76164952
Reduced:	N2O2C15H17 (2)
Stoich.:	A2B2C15D17 (2)
Weight, g/mol:	463.247107
ΔH_f, kcal/mol:	-90.97
Dipole, Da:	5.69
IP(EA), eV:	-8.86(-0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CN1C(C2CCN(C2C3=C1C=CC(=C3)C4=CC(=CC=C4)C(=O)N(C)C)C(=O)NC5=CC=C(C=C5)OC)CO

DOS

IR

Vibrations