Geometry & MOs

Info

ID:	184410
PubChem CID:	77157457
Reduced:	NO2C11H19 (2)
Stoich.:	AB2C11D19 (2)
Weight, g/mol:	364.164774
ΔH_f, kcal/mol:	-211.54
Dipole, Da:	3.26
IP(EA), eV:	-9.9(0.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-(2-amino-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl)phenyl]-6-cyano-2H-pyridine-1-carboxamide

Drug info:

PubChemData

Smile

CC1C2CC(CCC2C(=O)ON1)NC(=O)C(CC3CCCCC3)(CC(C)C)O

DOS

IR

Vibrations