Geometry & MOs

Info

ID:	331452
PubChem CID:	127248859
Reduced:	O2N6C23H28 (1)
Stoich.:	A2B6C23D28 (1)
Weight, g/mol:	436.29506
ΔH_f, kcal/mol:	33.09
Dipole, Da:	4.91
IP(EA), eV:	-8.76(-0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N,N-dimethyl-5-pyrimidin-5-yl-4-[4-[2-(2,6,6-trimethylcyclohexen-1-yl)ethyl]morpholin-2-yl]pyrimidin-2-amine

Drug info:

PubChemData

Smile

CN(C)C1=NC=C(C(=N1)C2CN(CCO2)CCOCC3=CC=CC=C3)C4=CN=CN=C4

DOS

IR

Vibrations