Geometry & MOs

Info

ID:	416800
PubChem CID:	135090438
Reduced:	SO2N5C23H33 (1)
Stoich.:	AB2C5D23E33 (1)
Weight, g/mol:	302.154289
ΔH_f, kcal/mol:	-28.72
Dipole, Da:	5.54
IP(EA), eV:	-9.1(-0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(2-fluorophenyl)methyl]-2-[methyl(1-pyrimidin-4-ylethyl)amino]acetamide

Drug info:

PubChemData

Smile

CCN1C=C(C(=N1)C)CNC(=O)[C@]2(C[C@H]3CC[C@@H]2N3C4CCOCC4)CC5=CSC=N5

DOS

IR

Vibrations