Geometry & MOs

Info

ID:	227922
PubChem CID:	87563029
Reduced:	N3O5C22H33 (1)
Stoich.:	A3B5C22D33 (1)
Weight, g/mol:	276.077789
ΔH_f, kcal/mol:	-201.78
Dipole, Da:	6.14
IP(EA), eV:	-9.18(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-chloro-4-(2-phenylethylamino)pyrimidine-5-carboxamide

Drug info:

PubChemData

Smile

CCCCOC(=O)CC1(C2=C(CCN1C(=O)O)C(=C(C=C2)/C(=N/O)/N)C)CC(C)C

DOS

IR

Vibrations