Geometry & MOs

Info

ID:	24679
PubChem CID:	612164
Reduced:	NO2C27H29 (1)
Stoich.:	AB2C27D29 (1)
Weight, g/mol:	399.219829
ΔH_f, kcal/mol:	-29.95
Dipole, Da:	4.11
IP(EA), eV:	-9.11(-0.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[1-[hydroxy(diphenyl)methyl]-3,4-dihydro-1H-isoquinolin-2-yl]-2,2-dimethylpropan-1-one

Drug info:

PubChemData

Smile

CC(C)(C)C(=O)N1CCC2=CC=CC=C2C1C(C3=CC=CC=C3)(C4=CC=CC=C4)O

DOS

IR

Vibrations