Geometry & MOs

Info

ID:	45469
PubChem CID:	10513905
Reduced:	O2N5C10H13 (1)
Stoich.:	A2B5C10D13 (1)
Weight, g/mol:	235.157229
ΔH_f, kcal/mol:	-19.07
Dipole, Da:	8.32
IP(EA), eV:	-9.37(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(1R,2R)-1-hydroxy-1-phenylpropan-2-yl]-N-methylbutanamide

Drug info:

PubChemData

Smile

C1C[C@H](O[C@H]1CO)N2C=NC3=NC=NC(=C32)N

DOS

IR

Vibrations