Geometry & MOs

Info

ID:	126468
PubChem CID:	50966060
Reduced:	O2N5C16H23 (1)
Stoich.:	A2B5C16D23 (1)
Weight, g/mol:	333.208613
ΔH_f, kcal/mol:	-3.56
Dipole, Da:	5.39
IP(EA), eV:	-8.92(-0.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(azepan-1-yl)ethyl]-3-(methanesulfonamido)-N-propan-2-ylpropanamide

Drug info:

PubChemData

Smile

CC(C)CC1=CC(=NO1)CNC2=CC(=NC=N2)N3CCOCC3

DOS

IR

Vibrations