Geometry & MOs

Info

ID:	422464
PubChem CID:	135117878
Reduced:	FON2C17H25 (1)
Stoich.:	ABC2D17E25 (1)
Weight, g/mol:	370.200491
ΔH_f, kcal/mol:	-80.87
Dipole, Da:	2.98
IP(EA), eV:	-8.85(-0.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[5-(4-methoxyphenyl)-3-pyrrolidin-1-yl-1,2-oxazol-4-yl]-(4-methylpiperazin-1-yl)methanone

Drug info:

PubChemData

Smile

CN1CCC[C@]2([C@H]1CN(CC2)CC3=CC=C(C=C3)F)CO

DOS

IR

Vibrations