Geometry & MOs

Info

ID:	422741
PubChem CID:	135118329
Reduced:	FNO2C18H24 (1)
Stoich.:	ABC2D18E24 (1)
Weight, g/mol:	379.16444
ΔH_f, kcal/mol:	-134.29
Dipole, Da:	6.07
IP(EA), eV:	-8.92(-0.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[6-[[3-(3-methoxyphenyl)-1,2-oxazol-5-yl]methylamino]pyrazin-2-yl]-pyrrolidin-1-ylmethanone

Drug info:

PubChemData

Smile

CC1=C(C(=CC=C1)F)C(=O)N2CCC[C@]3(C2)CCC[C@H]3OC

DOS

IR

Vibrations