Geometry & MOs

Info

ID:	330701
PubChem CID:	127248108
Reduced:	ON2C7H10 (2)
Stoich.:	AB2C7D10 (2)
Weight, g/mol:	290.174276
ΔH_f, kcal/mol:	-65.0
Dipole, Da:	6.24
IP(EA), eV:	-9.24(-1.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-[(1-acetylpiperidin-3-yl)methyl]-N-ethylpyrimidine-4-carboxamide

Drug info:

PubChemData

Smile

CCNC(=O)C1=NC=CN=C1CC2CCN(C2)C(=O)C

DOS

IR

Vibrations