Geometry & MOs

Info

ID:	365210
PubChem CID:	127317027
Reduced:	O2N3C19H27 (1)
Stoich.:	A2B3C19D27 (1)
Weight, g/mol:	393.252861
ΔH_f, kcal/mol:	-69.77
Dipole, Da:	4.03
IP(EA), eV:	-9.18(0.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(3-methyl-3-phenylpiperidin-1-yl)-1-(4-pyrimidin-2-ylpiperazin-1-yl)propan-1-one

Drug info:

PubChemData

Smile

CC(C(=O)NC(=O)NC1CC1)N2CCCC(C2)(C)C3=CC=CC=C3

DOS

IR

Vibrations