Geometry & MOs

Info

ID:	415419
PubChem CID:	135088413
Reduced:	O2N3C26H31 (1)
Stoich.:	A2B3C26D31 (1)
Weight, g/mol:	372.171689
ΔH_f, kcal/mol:	-16.98
Dipole, Da:	2.96
IP(EA), eV:	-8.22(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-[[2-(4-chlorophenyl)-2-piperidin-1-ylethyl]amino]-4-methylpyrimidin-5-yl]ethanone

Drug info:

PubChemData

Smile

COC1=CC=CC(=C1)N2CCC(CC2)N[C@H]3COC[C@H]3CC4=CC=NC5=CC=CC=C45

DOS

IR

Vibrations