Geometry & MOs

Info

ID:	437990
PubChem CID:	135227443
Reduced:	F3N3O4H22C24 (1)
Stoich.:	A3B3C4D22E24 (1)
Weight, g/mol:	445.161326
ΔH_f, kcal/mol:	-248.42
Dipole, Da:	3.28
IP(EA), eV:	-9.16(-0.91)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[2-methoxy-5-[2-methyl-4-(trifluoromethoxy)phenyl]phenyl]methyl]-N-[(4-methylpyrimidin-2-yl)methyl]formamide

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1OC(C)C)C2=CC3=C(C=C2)OC(=O)N(C3)CC4=NC=CC=N4)OC(F)(F)F

DOS

IR

Vibrations