Geometry & MOs

Info

ID:	389085
PubChem CID:	134991116
Reduced:	BNNaC4H10 (1)
Stoich.:	ABCD4E10 (1)
Weight, g/mol:	248.188863
ΔH_f, kcal/mol:	41.55
Dipole, Da:	3.77
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.750031
Charge, e:	0

Chem-info

IUPAC name:

(1S,2R)-2-[methyl-[(2R)-1-methylpyrrolidin-2-yl]amino]-1-phenylpropan-1-ol

Drug info:

PubChemData

Smile

[B-]NC(C)(C)C.[Na+]

DOS

IR

Vibrations