Geometry & MOs

Info

ID:	233287
PubChem CID:	89649809
Reduced:	ON2F3C18H19 (1)
Stoich.:	AB2C3D18E19 (1)
Weight, g/mol:	468.1452
ΔH_f, kcal/mol:	-157.01
Dipole, Da:	2.69
IP(EA), eV:	-8.99(-0.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-chloro-4-[[4-(4-methoxyphenyl)oxan-4-yl]methylcarbamoyl]phenyl]furan-2-carboxamide

Drug info:

PubChemData

Smile

C1[C@@H]([C@H](CN1CC2=CC=CC=C2)N)C3=CC(=CC=C3)OC(F)(F)F

DOS

IR

Vibrations