Geometry & MOs

Info

ID:	448879
PubChem CID:	135294221
Reduced:	ON2H22C23 (1)
Stoich.:	AB2C22D23 (1)
Weight, g/mol:	424.272377
ΔH_f, kcal/mol:	26.76
Dipole, Da:	3.63
IP(EA), eV:	-8.42(-0.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S)-N-[(4,4-difluorocyclohexyl)methyl]-1-(5-ethylthiophen-2-yl)-3-(3-methyl-8-azabicyclo[3.2.1]octan-8-yl)propan-1-amine

Drug info:

PubChemData

Smile

C=CC1=C(C=C(C=C1)C2=C(C=C(C=C2)C3=CC=CC=C3)CCC(=O)N)N

DOS

IR

Vibrations