Geometry & MOs

Info

ID:	305609
PubChem CID:	124962053
Reduced:	O2N3C21H23 (1)
Stoich.:	A2B3C21D23 (1)
Weight, g/mol:	380.209993
ΔH_f, kcal/mol:	-2.89
Dipole, Da:	5.51
IP(EA), eV:	-9.14(-0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(3S)-3-hydroxypiperidin-1-yl]-[4-[(4-pyridin-4-ylphenyl)methyl]oxan-4-yl]methanone

Drug info:

PubChemData

Smile

CC1=C(C(=NO1)C)C(=O)N2CCC[C@H](C2)CC3=CC=CC4=C3N=CC=C4

DOS

IR

Vibrations