Geometry & MOs

Info

ID:	403222
PubChem CID:	135059234
Reduced:	NOC17H19 (1)
Stoich.:	ABC17D19 (1)
Weight, g/mol:	393.17602
ΔH_f, kcal/mol:	-20.22
Dipole, Da:	3.97
IP(EA), eV:	-9.13(-0.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1-oxo-3-phenyl-4-trimethylsilylisoquinolin-2-yl) 2,2-dimethylpropanoate

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)C2=CC=CC=C2)C(=O)NC(C)C

DOS

IR

Vibrations