Geometry & MOs

Info

ID:	331819
PubChem CID:	127250105
Reduced:	ON4C26H34 (1)
Stoich.:	AB4C26D34 (1)
Weight, g/mol:	434.268176
ΔH_f, kcal/mol:	14.15
Dipole, Da:	3.91
IP(EA), eV:	-8.7(0.19)
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-[6-[(3-methoxyphenyl)methyl]pyridin-2-yl]morpholine

Drug info:

PubChemData

Smile

CC1=CC=CC=C1CC2=NC(=CC=C2)C3CN(CCO3)CC4=C(N(N=C4C)C(C)C)C

DOS

IR

Vibrations