Geometry & MOs

Info

ID:	39348
PubChem CID:	8140394
Reduced:	O2N3C22H27 (1)
Stoich.:	A2B3C22D27 (1)
Weight, g/mol:	300.163791
ΔH_f, kcal/mol:	-56.02
Dipole, Da:	2.87
IP(EA), eV:	-8.57(0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[2-[(dimethylamino)methyl]phenyl]methyl]-2-(2-fluorophenyl)acetamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)N2C[C@@H](CC2=O)C(=O)NCC3=CC=CC=C3CN(C)C

DOS

IR

Vibrations