Geometry & MOs

Info

ID:	417929
PubChem CID:	135103084
Reduced:	N4O7C30H36 (1)
Stoich.:	A4B7C30D36 (1)
Weight, g/mol:	254.117904
ΔH_f, kcal/mol:	-248.25
Dipole, Da:	10.13
IP(EA), eV:	-8.96(-0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(5-fluoro-4-methoxypyrimidin-2-yl)amino]azepan-2-one

Drug info:

PubChemData

Smile

COC1=C2C=C(C=C1)C(=O)N[C@H]3CN(C[C@@H]3OC4=CC=C(CNC(=O)CO2)C=C4)C(=O)CCN5CCCCCC5=O

DOS

IR

Vibrations