Geometry & MOs

Info

ID:	179716
PubChem CID:	76521495
Reduced:	N3O7C30H42 (1)
Stoich.:	A3B7C30D42 (1)
Weight, g/mol:	324.188944
ΔH_f, kcal/mol:	-280.57
Dipole, Da:	3.42
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.770899
Charge, e:	0

Chem-info

IUPAC name:

2-fluoro-2-[2-(2,3,4-trimethylphenyl)propan-2-yl]-3,4-dihydronaphthalen-1-one

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)NC(CC1=CC=CC=C1)C(CNCC(C(CC2=CC=CC=C2)N(C3CCOC3)C(=O)[O-])O)O

DOS

IR

Vibrations