Geometry & MOs

Info

ID:	182938
PubChem CID:	76959742
Reduced:	IO2C19H29 (1)
Stoich.:	AB2C19D29 (1)
Weight, g/mol:	490.328091
ΔH_f, kcal/mol:	-106.51
Dipole, Da:	1.57
IP(EA), eV:	-9.31(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-cyano-2-[(2R)-3,3-dimethylbutan-2-yl]-3-pyridin-4-ylguanidine;1-cyano-2-[(2S)-3,3-dimethylbutan-2-yl]-3-pyridin-4-ylguanidine

Drug info:

PubChemData

Smile

CCOC(=O)CCCCCCCC[C@@H](C)C1=CC=CC=C1I

DOS

IR

Vibrations