Geometry & MOs

Info

ID:	122916
PubChem CID:	50826578
Reduced:	FON4C23H23 (1)
Stoich.:	ABC4D23E23 (1)
Weight, g/mol:	348.138639
ΔH_f, kcal/mol:	-18.17
Dipole, Da:	3.61
IP(EA), eV:	-8.82(-0.99)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-cyclopropyl-3-[[5-(3-fluorophenyl)pyrimidin-2-yl]amino]benzamide

Drug info:

PubChemData

Smile

C1CCC(CC1)NC(=O)C2=CC(=CC=C2)NC3=NC=C(C=N3)C4=CC=C(C=C4)F

DOS

IR

Vibrations