Geometry & MOs

Info

ID:	332135
PubChem CID:	127250421
Reduced:	ClON4C24H29 (1)
Stoich.:	ABC4D24E29 (1)
Weight, g/mol:	392.23246
ΔH_f, kcal/mol:	15.06
Dipole, Da:	1.28
IP(EA), eV:	-8.56(-0.62)
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-pyrimidin-5-ylpyridin-2-yl)morpholine

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations