Geometry & MOs

Info

ID:	332033
PubChem CID:	127250319
Reduced:	FON4C21H23 (1)
Stoich.:	ABC4D21E23 (1)
Weight, g/mol:	382.156039
ΔH_f, kcal/mol:	2.36
Dipole, Da:	2.49
IP(EA), eV:	-8.67(-0.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[5-(3-chlorophenyl)pyridin-2-yl]-4-[(1,3-dimethylpyrazol-4-yl)methyl]morpholine

Drug info:

PubChemData

Smile

CC1=NN(C=C1CN2CCOC(C2)C3=NC=C(C=C3)C4=CC=CC=C4F)C

DOS

IR

Vibrations