Geometry & MOs

Info

ID:	331936
PubChem CID:	127250222
Reduced:	ClON4C23H27 (1)
Stoich.:	ABC4D23E27 (1)
Weight, g/mol:	420.252526
ΔH_f, kcal/mol:	26.92
Dipole, Da:	1.35
IP(EA), eV:	-8.62(-0.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[5-[(2-ethoxyphenyl)methyl]pyridin-2-yl]-4-[(1-ethyl-3-methylpyrazol-4-yl)methyl]morpholine

Drug info:

PubChemData

Smile

CCN1C=C(C(=N1)C)CN2CCOC(C2)C3=NC=C(C=C3)CC4=CC=CC=C4Cl

DOS

IR

Vibrations