Geometry & MOs

Info

ID:	224755
PubChem CID:	85349225
Reduced:	NSO3C11H23 (1)
Stoich.:	ABC3D11E23 (1)
Weight, g/mol:	249.24565
ΔH_f, kcal/mol:	-158.87
Dipole, Da:	0.98
IP(EA), eV:	-8.13(0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-butyl-4-(2,6,6-trimethylcyclohex-2-en-1-yl)but-3-en-2-amine

Drug info:

PubChemData

Smile

CC(C)CC(CC(=O)O)NS(=O)C(C)(C)C

DOS

IR

Vibrations