Geometry & MOs

Info

ID:	332584
PubChem CID:	127250870
Reduced:	ClN4O4C22H25 (1)
Stoich.:	AB4C4D22E25 (1)
Weight, g/mol:	407.220892
ΔH_f, kcal/mol:	-70.94
Dipole, Da:	5.19
IP(EA), eV:	-9.41(-0.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(2-methoxy-4-methylphenyl)methyl]-2-[5-(2-phenoxyethyl)-1H-pyrazol-3-yl]morpholine

Drug info:

PubChemData

Smile

CC1=C(C(=NO1)C)CC(=O)N2CCOC(C2)C3=NNC(=C3)CCOC4=CC(=CC=C4)Cl

DOS

IR

Vibrations