Geometry & MOs

Info

ID:	49525
PubChem CID:	11533175
Reduced:	ClN4O5C24H25 (1)
Stoich.:	AB4C5D24E25 (1)
Weight, g/mol:	484.228141
ΔH_f, kcal/mol:	-121.42
Dipole, Da:	3.78
IP(EA), eV:	-9.14(-0.97)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-[4-[2-[5-(4-chlorophenyl)pyridin-2-yl]ethynyl]phenoxy]ethyl]-N-(cyclopropylmethyl)cyclohexanamine

Drug info:

PubChemData

Smile

CNC(=O)C1=CC2=C(C=CN=C2C=C1OCCOC)OC3=CC(=C(C=C3)NC(=O)NC4CC4)Cl

DOS

IR

Vibrations