Geometry & MOs

Info

ID:	302604
PubChem CID:	124385271
Reduced:	NO3C13H19 (1)
Stoich.:	AB3C13D19 (1)
Weight, g/mol:	245.164046
ΔH_f, kcal/mol:	-97.46
Dipole, Da:	1.19
IP(EA), eV:	-8.29(0.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-cyano-2-[(2R,3R)-3-methylpentan-2-yl]-3-pyridin-4-ylguanidine

Drug info:

PubChemData

Smile

CN1CCO[C@H](C1)C2=C(C=CC(=C2)OC)OC

DOS

IR

Vibrations