Geometry & MOs

Info

ID:	332134
PubChem CID:	127250420
Reduced:	O2N4C25H32 (1)
Stoich.:	A2B4C25D32 (1)
Weight, g/mol:	424.202989
ΔH_f, kcal/mol:	-16.12
Dipole, Da:	1.51
IP(EA), eV:	-8.52(-0.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations