Geometry & MOs

Info

ID:	163279
PubChem CID:	57687780
Reduced:	NO2C14H21 (1)
Stoich.:	AB2C14D21 (1)
Weight, g/mol:	670.327897
ΔH_f, kcal/mol:	-94.57
Dipole, Da:	6.53
IP(EA), eV:	-8.3(-0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-[6-fluoro-1-[3-[4-hydroxy-2-(morpholin-4-ylmethyl)phenyl]phenyl]-2,4-dioxopyrido[2,3-d]pyrimidin-3-yl]cyclohexyl]-2-piperidin-1-ylacetamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)N(C(C)C)C(C)C)C(=O)O

DOS

IR

Vibrations