Geometry & MOs

Info

ID:	331473
PubChem CID:	127248880
Reduced:	FO2N4C26H29 (1)
Stoich.:	AB2C4D26E29 (1)
Weight, g/mol:	448.258674
ΔH_f, kcal/mol:	-60.67
Dipole, Da:	4.16
IP(EA), eV:	-8.84(-0.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N,N-dimethyl-4-[4-[[2-(2-methylpropoxy)phenyl]methyl]morpholin-2-yl]-5-pyrimidin-5-ylpyrimidin-2-amine

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)CC(=O)N2CCOC(C2)C3=NC(=NC=C3C4=CC(=CC=C4)F)N(C)C)C

DOS

IR

Vibrations