Geometry & MOs

Info

ID:	331378
PubChem CID:	127248785
Reduced:	O3N5C21H29 (1)
Stoich.:	A3B5C21D29 (1)
Weight, g/mol:	380.176087
ΔH_f, kcal/mol:	-51.87
Dipole, Da:	6.12
IP(EA), eV:	-8.41(0.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(4-fluorophenyl)-N,N-dimethyl-4-(4-pyrimidin-2-ylmorpholin-2-yl)pyrimidin-2-amine

Drug info:

PubChemData

Smile

CN(C)C1=NC=C(C(=N1)C2CN(CCO2)CC(=O)N(C)C)C3=CC=C(C=C3)OC

DOS

IR

Vibrations