Geometry & MOs

Info

ID:	39204
PubChem CID:	8139912
Reduced:	N3O3C23H31 (1)
Stoich.:	A3B3C23D31 (1)
Weight, g/mol:	385.216555
ΔH_f, kcal/mol:	-102.5
Dipole, Da:	2.43
IP(EA), eV:	-8.94(-0.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(2S)-1-[[2-[(dimethylamino)methyl]phenyl]methylamino]-3-methyl-1-oxobutan-2-yl]-4-fluorobenzamide

Drug info:

PubChemData

Smile

CC(C)[C@@H](C(=O)NCC1=CC=CC=C1CN(C)C)NC(=O)OCC2=CC=CC=C2

DOS

IR

Vibrations