Geometry & MOs

Info

ID:	154106
PubChem CID:	56313494
Reduced:	F2O2N3C25H25 (1)
Stoich.:	A2B2C3D25E25 (1)
Weight, g/mol:	405.10519
ΔH_f, kcal/mol:	-65.89
Dipole, Da:	5.9
IP(EA), eV:	-8.82(-1.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[1-(3-bromophenyl)pyrrolidin-3-yl]methyl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)propanamide

Drug info:

PubChemData

Smile

CN(C)CCN(CC1=CC=CC=C1F)C(=O)/C=C/C2=CC(=C(C=C2)OC3=CN=CC=C3)F

DOS

IR

Vibrations