Geometry & MOs

Info

ID:	130250
PubChem CID:	51075379
Reduced:	SN3O3C16H27 (1)
Stoich.:	AB3C3D16E27 (1)
Weight, g/mol:	240.220164
ΔH_f, kcal/mol:	-103.11
Dipole, Da:	4.87
IP(EA), eV:	-8.97(0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-(azepan-1-yl)propyl]-2-methylbutanamide

Drug info:

PubChemData

Smile

C1CCCN(CC1)S(=O)(=O)NCC(C2=CC=CO2)N3CCCC3

DOS

IR

Vibrations