Geometry & MOs

Info

ID:

42589

PubChem CID:

8149744

Reduced:

N4C14H19 (1)

Stoich.:

A4B14C19 (1)

Weight, g/mol:

242.153147

ΔHf, kcal/mol:

86.99

Dipole, Da:

3.27

IP(EA), eV:

0.0(0.0)

Spin(Sz, S2):

0.500000, 0.982283

Charge, e:

0

Chem-info

IUPAC name:

(1R)-N,N-dimethyl-1-phenyl-N'-pyrimidin-2-ylethane-1,2-diamine

Drug info:

PubChemData

Smile

C[NH+](C)[C@@H](CNC1=NC=CC=N1)C2=CC=CC=C2

DOS

IR

Vibrations