Geometry & MOs

Info

ID:	121012
PubChem CID:	50753241
Reduced:	NO4C21H25 (1)
Stoich.:	AB4C21D25 (1)
Weight, g/mol:	468.167666
ΔH_f, kcal/mol:	-154.5
Dipole, Da:	4.63
IP(EA), eV:	-9.01(-1.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(3-chloro-4-methoxyphenyl)-3-[4-[(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)amino]phenyl]urea

Drug info:

PubChemData

Smile

CCCCNC(=O)CCC1=C(C2=C(C(=C3C(=C2)C(=CO3)C)C)OC1=O)C

DOS

IR

Vibrations