Geometry & MOs

Info

ID:	331975
PubChem CID:	127250261
Reduced:	ClON4C25H31 (1)
Stoich.:	ABC4D25E31 (1)
Weight, g/mol:	448.283826
ΔH_f, kcal/mol:	9.94
Dipole, Da:	1.62
IP(EA), eV:	-8.52(-0.24)
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-[(2-ethoxyphenyl)methyl]pyridin-2-yl]morpholine

Drug info:

PubChemData

Smile

CC1=C(C(=NN1C(C)C)C)CN2CCOC(C2)C3=NC=C(C=C3)CC4=CC=CC=C4Cl

DOS

IR

Vibrations