Geometry & MOs

Info

ID:	302605
PubChem CID:	124385272
Reduced:	N5C13H19 (1)
Stoich.:	A5B13C19 (1)
Weight, g/mol:	245.164046
ΔH_f, kcal/mol:	68.62
Dipole, Da:	4.98
IP(EA), eV:	-9.44(-0.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC[C@@H](C)[C@@H](C)N=C(NC#N)NC1=CC=NC=C1

DOS

IR

Vibrations