Geometry & MOs

Info

ID:	330699
PubChem CID:	127248106
Reduced:	O2N5C18H27 (1)
Stoich.:	A2B5C18D27 (1)
Weight, g/mol:	332.221226
ΔH_f, kcal/mol:	-57.84
Dipole, Da:	1.76
IP(EA), eV:	-8.8(-1.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(1-acetyl-4-methylpiperidin-4-yl)-N-butan-2-yl-6-methylpyrimidine-4-carboxamide

Drug info:

PubChemData

Smile

CCN1CCN(CC1)C(=O)C2=NC=CN=C2CC3CCN(C3)C(=O)C

DOS

IR

Vibrations