Geometry & MOs

Info

ID:	331411
PubChem CID:	127248818
Reduced:	FO3N5C20H24 (1)
Stoich.:	AB3C5D20E24 (1)
Weight, g/mol:	416.23246
ΔH_f, kcal/mol:	-116.52
Dipole, Da:	2.27
IP(EA), eV:	-8.7(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(=O)NCC(=O)N1CCOC(C1)C2=NC(=NC=C2C3=CC(=CC=C3)F)N(C)C

DOS

IR

Vibrations