Geometry & MOs

Info

ID:	179348
PubChem CID:	76469256
Reduced:	FO2N4H21C22 (1)
Stoich.:	AB2C4D21E22 (1)
Weight, g/mol:	408.135304
ΔH_f, kcal/mol:	-20.17
Dipole, Da:	1.12
IP(EA), eV:	-9.33(-0.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(5-chloropyridin-2-yl)-2-[(2,4-dimethylpyrimidin-5-yl)oxymethyl]-2-phenylcyclopropane-1-carboxamide

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations