Geometry & MOs

Info

ID:	122920
PubChem CID:	50826672
Reduced:	ClON4H19C24 (1)
Stoich.:	ABC4D19E24 (1)
Weight, g/mol:	428.128469
ΔH_f, kcal/mol:	57.95
Dipole, Da:	6.93
IP(EA), eV:	-8.96(-0.99)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(1,3-benzodioxol-5-yl)-3-[[5-(4-fluorophenyl)pyrimidin-2-yl]amino]benzamide

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)C2=CN=C(N=C2)NC3=CC=CC(=C3)C(=O)NC4=CC(=CC=C4)Cl

DOS

IR

Vibrations