Geometry & MOs

Info

ID:	239966
PubChem CID:	93375352
Reduced:	NOC7H10 (2)
Stoich.:	ABC7D10 (2)
Weight, g/mol:	250.168128
ΔH_f, kcal/mol:	-72.68
Dipole, Da:	4.64
IP(EA), eV:	-8.89(-0.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R,3S)-2-amino-N-[(4-hydroxyphenyl)methyl]-N,3-dimethylpentanamide

Drug info:

PubChemData

Smile

CN(CC1=CC=C(C=C1)O)C(=O)[C@H]2CCCCN2

DOS

IR

Vibrations