Geometry & MOs

Info

ID:	163757
PubChem CID:	74374176
Reduced:	O2N4C21H22 (1)
Stoich.:	A2B4C21D22 (1)
Weight, g/mol:	375.194677
ΔH_f, kcal/mol:	47.84
Dipole, Da:	5.23
IP(EA), eV:	-8.77(-0.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-hydroxy-3-[2-[2-(2-methyl-1H-indol-3-yl)ethyl]-3,4-dihydro-1H-isoquinolin-6-yl]prop-2-enamide

Drug info:

PubChemData

Smile

C1CN(CC2=C1C=C(C=C2)C=CC(=O)NO)CCC3=C4C=CC=CN4N=C3

DOS

IR

Vibrations