Geometry & MOs

Info

ID:	190439
PubChem CID:	78005474
Reduced:	O3N4C11H16 (1)
Stoich.:	A3B4C11D16 (1)
Weight, g/mol:	511.247107
ΔH_f, kcal/mol:	-81.51
Dipole, Da:	5.67
IP(EA), eV:	-8.5(0.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-hydroxy-3-(1H-indol-3-yl)propan-2-yl]-5-[(1-oxo-3,4-dihydro-2H-isoquinolin-6-yl)methyl]-2-propan-2-yloxybenzamide

Drug info:

PubChemData

Smile

C1CC(OC1CO)N2C=NC3=C2NC=NC3CO

DOS

IR

Vibrations