Geometry & MOs

Info

ID:	331150
PubChem CID:	127248557
Reduced:	N3O3C25H31 (1)
Stoich.:	A3B3C25D31 (1)
Weight, g/mol:	427.207133
ΔH_f, kcal/mol:	-47.31
Dipole, Da:	1.74
IP(EA), eV:	-8.64(0.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[5-[2-(3,4-difluorophenoxy)ethyl]-1-methylpyrazol-3-yl]-4-[(3-methylphenyl)methyl]morpholine

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)CN2CCOC(C2)C3=NN(C(=C3)CCOC4=CC=CC(=C4)OC)C

DOS

IR

Vibrations