Geometry & MOs

Info

ID:	42597
PubChem CID:	8149752
Reduced:	N4C14H19 (1)
Stoich.:	A4B14C19 (1)
Weight, g/mol:	242.153147
ΔH_f, kcal/mol:	74.72
Dipole, Da:	2.82
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.114939
Charge, e:	0

Chem-info

IUPAC name:

(1S)-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