Geometry & MOs

Info

ID:	291668
PubChem CID:	113457656
Reduced:	SN2O2C13H22 (1)
Stoich.:	AB2C2D13E22 (1)
Weight, g/mol:	239.2613
ΔH_f, kcal/mol:	-101.91
Dipole, Da:	5.46
IP(EA), eV:	-8.83(-0.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3,3-dimethylbutan-2-yl)-4-propylcycloheptan-1-amine

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)S(=O)(=O)NC(C)C(C)(C)C)N

DOS

IR

Vibrations