Geometry & MOs

Info

ID:	354729
PubChem CID:	127287428
Reduced:	O3N5C18H29 (1)
Stoich.:	A3B5C18D29 (1)
Weight, g/mol:	346.211724
ΔH_f, kcal/mol:	-90.72
Dipole, Da:	4.29
IP(EA), eV:	-9.24(-0.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(1-acetylpiperidin-4-yl)methyl]-4-pyrimidin-2-ylpiperazine-1-carboxamide

Drug info:

PubChemData

Smile

CC1=NOC(=C1)CN2CCN(CC2)C(=O)NCC3CCN(CC3)C(=O)C

DOS

IR

Vibrations