Geometry & MOs

Info

ID:	141570
PubChem CID:	52894833
Reduced:	N3O3C22H34 (1)
Stoich.:	A3B3C22D34 (1)
Weight, g/mol:	269.177964
ΔH_f, kcal/mol:	-107.25
Dipole, Da:	5.12
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.756242
Charge, e:	0

Chem-info

IUPAC name:

(2R)-2-methyl-N-[(1R)-1-naphthalen-2-ylethyl]pentanamide

Drug info:

PubChemData

Smile

C[C@@H](C(=O)NCC(C)(C)[NH+]1CCCCC1)NC(=O)/C=C/C2=CC=C(C=C2)OC

DOS

IR

Vibrations