Geometry & MOs

Info

ID:	331104
PubChem CID:	127248511
Reduced:	ClO2N3C23H26 (1)
Stoich.:	AB2C3D23E26 (1)
Weight, g/mol:	397.197712
ΔH_f, kcal/mol:	-1.85
Dipole, Da:	2.68
IP(EA), eV:	-8.88(-0.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[1-methyl-5-[2-[3-(trifluoromethyl)phenoxy]ethyl]pyrazol-3-yl]-4-propylmorpholine

Drug info:

PubChemData

Smile

CN1C(=CC(=N1)C2CN(CCO2)CC3=CC=CC=C3)CCOC4=CC=C(C=C4)Cl

DOS

IR

Vibrations