Geometry & MOs

Info

ID:	185424
PubChem CID:	77298806
Reduced:	BrO3H23C25 (1)
Stoich.:	AB3C23D25 (1)
Weight, g/mol:	442.181647
ΔH_f, kcal/mol:	-77.99
Dipole, Da:	2.27
IP(EA), eV:	-9.2(-0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(2,4-dimethylpyrimidin-5-yl)oxymethyl]-2-(4-fluorocyclohexa-2,4-dien-1-yl)-N-(5-fluoro-4-methoxypyridin-2-yl)cyclopropane-1-carboxamide

Drug info:

PubChemData

Smile

CC1=CC(=C2C(=C1)OC3(C2(C(CC3C4=CC=CC=C4)O)O)C5=CC=C(C=C5)Br)C

DOS

IR

Vibrations