Geometry & MOs

Info

ID:	76314
PubChem CID:	48424772
Reduced:	O2N3C19H29 (1)
Stoich.:	A2B3C19D29 (1)
Weight, g/mol:	399.19582
ΔH_f, kcal/mol:	-55.87
Dipole, Da:	3.04
IP(EA), eV:	-8.32(0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl N-[1-[[1-(4-fluorophenyl)pyrrolidin-3-yl]methylamino]-1-oxo-3-phenylpropan-2-yl]carbamate

Drug info:

PubChemData

Smile

CC(C(=O)NC1=CC=CC(=C1)CN2CCN(CC2)C)OCC3CC3

DOS

IR

Vibrations