Geometry & MOs

Info

ID:	343854
PubChem CID:	127267030
Reduced:	N4O5C14H18 (1)
Stoich.:	A4B5C14D18 (1)
Weight, g/mol:	273.15896
ΔH_f, kcal/mol:	-127.54
Dipole, Da:	3.47
IP(EA), eV:	-9.93(-1.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-ethyl-6-[(2-methyl-6-oxopiperidin-4-yl)methylamino]pyrimidine-4-carbonitrile

Drug info:

PubChemData

Smile

CC1CC(CC(=O)N1)CNC2=C(C=C(C=N2)C(=O)OC)[N+](=O)[O-]

DOS

IR

Vibrations