Geometry & MOs

Info

ID:	299069
PubChem CID:	117670493
Reduced:	O2N4C7H16 (1)
Stoich.:	A2B4C7D16 (1)
Weight, g/mol:	336.190989
ΔH_f, kcal/mol:	-29.18
Dipole, Da:	2.44
IP(EA), eV:	-9.95(-0.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[[3,5-bis(2-cyanoethylamino)-2,4,6-trihydroxycyclohexyl]amino]propanenitrile

Drug info:

PubChemData

Smile

CC(C)CC[C@@H](C(=O)ON)N=NN

DOS

IR

Vibrations