Geometry & MOs

Info

ID:	333080
PubChem CID:	127251504
Reduced:	ON4C25H32 (1)
Stoich.:	AB4C25D32 (1)
Weight, g/mol:	404.257612
ΔH_f, kcal/mol:	15.82
Dipole, Da:	2.83
IP(EA), eV:	-8.53(0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-2-[6-methyl-4-[(2-methylphenyl)methyl]pyridin-2-yl]morpholine

Drug info:

PubChemData

Smile

CCN1C=C(C(=N1)C)CN2CCOC(C2)C3=NC(=CC(=C3)CC4=CC=C(C=C4)C)C

DOS

IR

Vibrations