Geometry & MOs

Info

ID:	344591
PubChem CID:	127268175
Reduced:	SN3O3C19H29 (1)
Stoich.:	AB3C3D19E29 (1)
Weight, g/mol:	238.204513
ΔH_f, kcal/mol:	-123.1
Dipole, Da:	8.66
IP(EA), eV:	-9.17(-0.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(azepan-1-yl)-2-(3-methylpyrrolidin-1-yl)propan-1-one

Drug info:

PubChemData

Smile

CC1CCN(C1)CC(=O)NCC2=CC=CC=C2S(=O)(=O)N3CCCCC3

DOS

IR

Vibrations