Geometry & MOs

Info

ID:	193784
PubChem CID:	78435093
Reduced:	NO2C17H32 (1)
Stoich.:	AB2C17D32 (1)
Weight, g/mol:	246.181767
ΔH_f, kcal/mol:	-108.42
Dipole, Da:	3.34
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.754873
Charge, e:	1

Chem-info

IUPAC name:

2-[2,6-bis(azaniumyl)hexanoylamino]-3-methylbutanoate

Drug info:

PubChemData

Smile

CC[NH+](CC)CC(COC1C2CC3CC(C2)CC1C3)O

DOS

IR

Vibrations