Geometry & MOs

Info

ID:	324036
PubChem CID:	126676796
Reduced:	F3N3O3C22H28 (1)
Stoich.:	A3B3C3D22E28 (1)
Weight, g/mol:	297.136493
ΔH_f, kcal/mol:	-260.86
Dipole, Da:	5.01
IP(EA), eV:	-9.38(-0.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-(hydroxymethyl)-2-[(4-methoxyphenyl)methyl]-3,4-dihydroisoquinolin-1-one

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)N1CCC(CC1)C2=CC=CC(=C2)CN3C(=C(C=N3)CO)C(F)(F)F

DOS

IR

Vibrations