Geometry & MOs

Info

ID:	201699
PubChem CID:	79569379
Reduced:	SN2O2C16H26 (1)
Stoich.:	AB2C2D16E26 (1)
Weight, g/mol:	185.177964
ΔH_f, kcal/mol:	-112.22
Dipole, Da:	6.25
IP(EA), eV:	-9.05(0.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(propan-2-yloxymethyl)cycloheptan-1-amine

Drug info:

PubChemData

Smile

CCC1CCCC(C1)NS(=O)(=O)C2=C(C=C(C=C2C)N)C

DOS

IR

Vibrations