Geometry & MOs

Info

ID:	122910
PubChem CID:	50826384
Reduced:	ON2C13H15 (2)
Stoich.:	AB2C13D15 (2)
Weight, g/mol:	469.191403
ΔH_f, kcal/mol:	-36.32
Dipole, Da:	2.54
IP(EA), eV:	-8.62(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[[5-(4-fluorophenyl)pyrimidin-2-yl]amino]-N-(4-morpholin-4-ylphenyl)benzamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)NC(=O)CN2C(=O)C3=C(CN(CC3)CC4=CC=CC=C4)N=C2C(C)C

DOS

IR

Vibrations