Geometry & MOs

Info

ID:	415577
PubChem CID:	135088573
Reduced:	OF3N3C16H16 (1)
Stoich.:	AB3C3D16E16 (1)
Weight, g/mol:	330.169191
ΔH_f, kcal/mol:	-148.49
Dipole, Da:	6.19
IP(EA), eV:	-8.76(-0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-aminoethyl)-5-(4-methoxyphenyl)-3-pyrrolidin-1-yl-1,2-oxazole-4-carboxamide

Drug info:

PubChemData

Smile

C1[C@H]([C@@H](CN1C2=NC=CC(=C2)C(F)(F)F)O)CC3=CC=CC=N3

DOS

IR

Vibrations