Geometry & MOs

Info

ID:	154107
PubChem CID:	56313495
Reduced:	BrO2N3C19H24 (1)
Stoich.:	AB2C3D19E24 (1)
Weight, g/mol:	437.247855
ΔH_f, kcal/mol:	-29.57
Dipole, Da:	4.22
IP(EA), eV:	-8.45(0.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-N-[1-(cyclohexylmethyl)piperidin-4-yl]-3-(3-fluoro-4-pyridin-3-yloxyphenyl)prop-2-enamide

Drug info:

PubChemData

Smile

CC1=C(C(=NO1)C)C(C)C(=O)NCC2CCN(C2)C3=CC(=CC=C3)Br

DOS

IR

Vibrations