Geometry & MOs

Info

ID:	39217
PubChem CID:	8139932
Reduced:	O2N3C21H28 (1)
Stoich.:	A2B3C21D28 (1)
Weight, g/mol:	353.210327
ΔH_f, kcal/mol:	-41.45
Dipole, Da:	5.15
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.003579
Charge, e:	0

Chem-info

IUPAC name:

(3S)-3-acetamido-N-[[2-[(dimethylamino)methyl]phenyl]methyl]-3-phenylpropanamide

Drug info:

PubChemData

Smile

CC(=O)N[C@@H](CC(=O)NCC1=CC=CC=C1C[NH+](C)C)C2=CC=CC=C2

DOS

IR

Vibrations