Geometry & MOs

Info

ID:	291501
PubChem CID:	112884759
Reduced:	N2C9H12 (2)
Stoich.:	A2B9C12 (2)
Weight, g/mol:	314.174276
ΔH_f, kcal/mol:	29.47
Dipole, Da:	3.07
IP(EA), eV:	-8.57(0.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-morpholin-4-yl-N-(4-propan-2-yloxyphenyl)pyrimidin-2-amine

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)CNC2=NC=CC(=N2)NC3CCCCC3

DOS

IR

Vibrations