Geometry & MOs

Info

ID:	75217
PubChem CID:	48423184
Reduced:	O2F3N3C17H22 (1)
Stoich.:	A2B3C3D17E22 (1)
Weight, g/mol:	330.137971
ΔH_f, kcal/mol:	-205.82
Dipole, Da:	3.37
IP(EA), eV:	-9.08(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl N-[1-[(3-fluorophenyl)methylamino]-1-oxo-3-phenylpropan-2-yl]carbamate

Drug info:

PubChemData

Smile

CC(C(=O)N1CCN(CC1)C2=NC=C(C=C2)C(F)(F)F)OCC3CC3

DOS

IR

Vibrations