Geometry & MOs

Info

ID:	449775
PubChem CID:	135301329
Reduced:	OF2H10C11 (1)
Stoich.:	AB2C10D11 (1)
Weight, g/mol:	380.293997
ΔH_f, kcal/mol:	-87.15
Dipole, Da:	2.94
IP(EA), eV:	-9.6(-0.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[2-[6-[(3E,5E)-3-(cyclopropylmethyl)-2-methyl-7,8-dihydro-1H-diazocin-4-yl]pyridin-2-yl]ethyl]cyclohexan-1-amine

Drug info:

PubChemData

Smile

CC(CO)C#CC1=CC(=C(C=C1)F)F

DOS

IR

Vibrations