Geometry & MOs

Info

ID:	185425
PubChem CID:	77299067
Reduced:	F2O3N4C23H24 (1)
Stoich.:	A2B3C4D23E24 (1)
Weight, g/mol:	412.171082
ΔH_f, kcal/mol:	-112.91
Dipole, Da:	1.38
IP(EA), eV:	-9.44(-0.64)
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-fluoropyridin-2-yl)cyclopropane-1-carboxamide

Drug info:

PubChemData

Smile

CC1=NC(=NC=C1OCC2(CC2C(=O)NC3=NC=C(C(=C3)OC)F)C4CC=C(C=C4)F)C

DOS

IR

Vibrations