Geometry & MOs

Info

ID:	331882
PubChem CID:	127250168
Reduced:	FON4C22H23 (1)
Stoich.:	ABC4D22E23 (1)
Weight, g/mol:	394.156039
ΔH_f, kcal/mol:	-13.4
Dipole, Da:	4.91
IP(EA), eV:	-8.8(-0.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[5-[(2-chlorophenyl)methyl]pyridin-2-yl]-4-(2,6-dimethylpyrimidin-4-yl)morpholine

Drug info:

PubChemData

Smile

CC1=CC(=NC(=N1)C)N2CCOC(C2)C3=NC=C(C=C3)CC4=CC=CC=C4F

DOS

IR

Vibrations