Geometry & MOs

Info

ID:	157057
PubChem CID:	56413184
Reduced:	OSN2C11H16 (2)
Stoich.:	ABC2D11E16 (2)
Weight, g/mol:	412.217364
ΔH_f, kcal/mol:	-66.62
Dipole, Da:	3.34
IP(EA), eV:	-8.59(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-(difluoromethoxy)-3-methoxyphenyl]-[4-[(2,6-dimethylmorpholin-4-yl)methyl]piperidin-1-yl]methanone

Drug info:

PubChemData

Smile

CC1CN(CC(O1)C)CC2CCN(CC2)C(=O)CSC3=NC=NC4=C3C(=C(S4)C)C

DOS

IR

Vibrations