Geometry & MOs

Info

ID:	332573
PubChem CID:	127250859
Reduced:	ClO2N5C19H22 (1)
Stoich.:	AB2C5D19E22 (1)
Weight, g/mol:	389.166331
ΔH_f, kcal/mol:	6.77
Dipole, Da:	1.99
IP(EA), eV:	-8.96(-0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[5-[2-(3,4-difluorophenoxy)ethyl]-1H-pyrazol-3-yl]-4-(1H-imidazol-2-ylmethyl)morpholine

Drug info:

PubChemData

Smile

C1COC(CN1CC2=NC=CN2)C3=NNC(=C3)CCOC4=CC=CC=C4Cl

DOS

IR

Vibrations