Geometry & MOs

Info

ID:	330743
PubChem CID:	127248150
Reduced:	F2N3O3H23C24 (1)
Stoich.:	A2B3C3D23E24 (1)
Weight, g/mol:	405.18009
ΔH_f, kcal/mol:	-121.26
Dipole, Da:	4.55
IP(EA), eV:	-9.66(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-methyl-3-[[3-(2-methylphenyl)-1,2-oxazol-5-yl]methyl]-1-(pyrazine-2-carbonyl)pyrrolidine-3-carboxamide

Drug info:

PubChemData

Smile

CNC(=O)C1(CCN(C1)C(=O)CC2=CC=CC=C2F)CC3=CC(=NO3)C4=CC=C(C=C4)F

DOS

IR

Vibrations