Geometry & MOs

Info

ID:	331181
PubChem CID:	127248588
Reduced:	ClN4O4C22H27 (1)
Stoich.:	AB4C4D22E27 (1)
Weight, g/mol:	446.176562
ΔH_f, kcal/mol:	-118.59
Dipole, Da:	5.23
IP(EA), eV:	-9.08(-0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-[5-[2-(3,4-difluorophenoxy)ethyl]-1-methylpyrazol-3-yl]morpholin-4-yl]-(2,4-dimethyl-1,3-oxazol-5-yl)methanone

Drug info:

PubChemData

Smile

CN1C(=CC(=N1)C2CN(CCO2)C(=O)CN3CCCC3=O)CCOC4=CC=CC=C4Cl

DOS

IR

Vibrations