Geometry & MOs

Info

ID:	45380
PubChem CID:	10512368
Reduced:	ClN3H6C10 (1)
Stoich.:	AB3C6D10 (1)
Weight, g/mol:	204.111007
ΔH_f, kcal/mol:	89.29
Dipole, Da:	3.38
IP(EA), eV:	-9.3(-1.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(3S,4R,5R,6R)-4,5,6-trihydroxyazepan-3-yl]acetamide

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C3=CC=NN3C(=N2)Cl

DOS

IR

Vibrations