Geometry & MOs

Info

ID:	332575
PubChem CID:	127250861
Reduced:	O2N5C22H29 (1)
Stoich.:	A2B5C22D29 (1)
Weight, g/mol:	421.172559
ΔH_f, kcal/mol:	-2.57
Dipole, Da:	5.15
IP(EA), eV:	-8.84(0.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C)C1=CC=C(C=C1)OCCC2=CC(=NN2)C3CN(CCO3)CC4=NC=CN4

DOS

IR

Vibrations