Geometry & MOs

Info

ID:	233292
PubChem CID:	89649850
Reduced:	FON5H16C18 (1)
Stoich.:	ABC5D16E18 (1)
Weight, g/mol:	482.16085
ΔH_f, kcal/mol:	6.61
Dipole, Da:	7.21
IP(EA), eV:	-9.16(-1.1)
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]-N-methylfuran-2-carboxamide

Drug info:

PubChemData

Smile

CC1=CN=C(C2=NC(=NN12)CCC3=CC(=O)C4=C(N3)C=C(C=C4)F)C

DOS

IR

Vibrations