Geometry & MOs

Info

ID:	216136
PubChem CID:	85085773
Reduced:	O2N3C12H13 (1)
Stoich.:	A2B3C12D13 (1)
Weight, g/mol:	231.169525
ΔH_f, kcal/mol:	-13.93
Dipole, Da:	4.19
IP(EA), eV:	-9.4(-0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3,6-diamino-N-(3-amino-3-iminopropyl)-5-hydroxyhexanamide

Drug info:

PubChemData

Smile

COC(=O)CNC=C(CC1=CN=CC=C1)C#N

DOS

IR

Vibrations