Geometry & MOs

Info

ID:	155105
PubChem CID:	56320692
Reduced:	FO2N3C23H30 (1)
Stoich.:	AB2C3D23E30 (1)
Weight, g/mol:	486.275467
ΔH_f, kcal/mol:	-104.54
Dipole, Da:	2.26
IP(EA), eV:	-8.26(-0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-[5-fluoro-2-(4-methylpiperazin-1-yl)phenyl]ethyl]-3-(6-methyl-2-morpholin-4-yl-4-oxo-1H-pyrimidin-5-yl)propanamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)CC(=O)NC(C)C2=C(C=CC(=C2)F)N3CCN(CC3)C)OC

DOS

IR

Vibrations