Geometry & MOs

Info

ID:	130473
PubChem CID:	51090923
Reduced:	NOF2C8H10 (2)
Stoich.:	ABC2D8E10 (2)
Weight, g/mol:	345.130026
ΔH_f, kcal/mol:	-279.11
Dipole, Da:	2.39
IP(EA), eV:	-9.09(-0.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methyl-3-nitro-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]benzamide

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)CC(=O)NCC2CCN(C2)CC(F)(F)F)F

DOS

IR

Vibrations