Geometry & MOs

Info

ID:	303988
PubChem CID:	124491147
Reduced:	O3N4C18H26 (1)
Stoich.:	A3B4C18D26 (1)
Weight, g/mol:	220.157563
ΔH_f, kcal/mol:	-74.64
Dipole, Da:	4.06
IP(EA), eV:	-9.46(-0.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4S)-4-amino-5-methyl-N-phenylhexanamide

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)N1CCC(CC1)[C@@](CN=[N+]=[N-])(C2=CC=CC=C2)O

DOS

IR

Vibrations