Geometry & MOs

Info

ID:	75086
PubChem CID:	48422969
Reduced:	SN2O2C19H30 (1)
Stoich.:	AB2C2D19E30 (1)
Weight, g/mol:	282.230728
ΔH_f, kcal/mol:	-63.91
Dipole, Da:	3.5
IP(EA), eV:	-8.66(-0.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1CCN(CC1)C(CNC(=O)C(C)OCC2CC2)C3=CC=CS3

DOS

IR

Vibrations