Geometry & MOs

Info

ID:	163748
PubChem CID:	74374075
Reduced:	SN2O2C20H22 (1)
Stoich.:	AB2C2D20E22 (1)
Weight, g/mol:	308.152478
ΔH_f, kcal/mol:	-34.13
Dipole, Da:	2.26
IP(EA), eV:	-8.92(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(2-benzyl-3,4-dihydro-1H-isoquinolin-7-yl)-N-hydroxyprop-2-enamide

Drug info:

PubChemData

Smile

CC1=C(SC2C1C(=O)N(C(=O)N2C)CC(=C)C)C=CC3=CC=CC=C3

DOS

IR

Vibrations