Geometry & MOs

Info

ID:	379712
PubChem CID:	134460308
Reduced:	N2C19H28 (1)
Stoich.:	A2B19C28 (1)
Weight, g/mol:	548.283907
ΔH_f, kcal/mol:	6.96
Dipole, Da:	3.38
IP(EA), eV:	-8.41(0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[3-[3-(2-cyclopentylethyl)-2,3-dihydropyridin-5-yl]-8,9-dihydro-7H-benzo[7]annulen-5-yl]-2-[6-(4-fluorophenoxy)pyridin-3-yl]ethanone

Drug info:

PubChemData

Smile

CCC(=CC1=CC2=C(N1CC(C)C(C)(C)C)N=CC=C2)C

DOS

IR

Vibrations