Geometry & MOs

Info

ID:	195743
PubChem CID:	78729554
Reduced:	O2N3C13H26 (1)
Stoich.:	A2B3C13D26 (1)
Weight, g/mol:	270.218152
ΔH_f, kcal/mol:	-117.07
Dipole, Da:	3.37
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.757670
Charge, e:	1

Chem-info

IUPAC name:

2-(azocan-1-ium-1-yl)-N-(butan-2-ylcarbamoyl)acetamide

Drug info:

PubChemData

Smile

CC1CCCC[NH+]1CC(=O)NC(=O)NC(C)(C)C

DOS

IR

Vibrations