Geometry & MOs

Info

ID:	422835
PubChem CID:	135118491
Reduced:	ClO2N4H19C20 (1)
Stoich.:	AB2C4D19E20 (1)
Weight, g/mol:	394.236876
ΔH_f, kcal/mol:	-9.52
Dipole, Da:	6.13
IP(EA), eV:	-9.24(-1.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[6-[(1-methyl-4-phenylpiperidin-4-yl)methylamino]pyridin-3-yl]-morpholin-4-ylmethanone

Drug info:

PubChemData

Smile

CC1=CC(=C2C=CC=C(C2=N1)Cl)C(=O)N3C[C@H]([C@@H](C3)O)CC4=NC=CN=C4

DOS

IR

Vibrations