Geometry & MOs

Info

ID:	332133
PubChem CID:	127250419
Reduced:	FON4C24H29 (1)
Stoich.:	ABC4D24E29 (1)
Weight, g/mol:	420.252526
ΔH_f, kcal/mol:	-21.62
Dipole, Da:	4.16
IP(EA), eV:	-8.48(-0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)methyl]-2-[5-(3-methoxyphenyl)pyridin-2-yl]morpholine

Drug info:

PubChemData

Smile

CC1=C(C(=NN1C(C)C)C)CN2CCOC(C2)C3=NC=C(C=C3)C4=CC=CC=C4F

DOS

IR

Vibrations