Geometry & MOs

Info

ID:	122915
PubChem CID:	50826577
Reduced:	O3N4H24C26 (1)
Stoich.:	A3B4C24D26 (1)
Weight, g/mol:	390.18559
ΔH_f, kcal/mol:	-11.22
Dipole, Da:	4.42
IP(EA), eV:	-8.16(-0.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-cyclohexyl-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=C(C=C(C=C4)OC)OC

DOS

IR

Vibrations