Geometry & MOs

Info

ID:	331460
PubChem CID:	127248867
Reduced:	O2N6C25H30 (1)
Stoich.:	A2B6C25D30 (1)
Weight, g/mol:	432.227374
ΔH_f, kcal/mol:	14.47
Dipole, Da:	5.99
IP(EA), eV:	-8.53(-0.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[4-[(E)-3-(2-methoxyphenyl)prop-2-enyl]morpholin-2-yl]-N,N-dimethyl-5-pyrimidin-5-ylpyrimidin-2-amine

Drug info:

PubChemData

Smile

CC1(CC2=C(O1)C=CC(=C2)CN3CCOC(C3)C4=NC(=NC=C4C5=CN=CN=C5)N(C)C)C

DOS

IR

Vibrations