Geometry & MOs

Info

ID:	248326
PubChem CID:	103080699
Reduced:	NOC18H23 (1)
Stoich.:	ABC18D23 (1)
Weight, g/mol:	268.215078
ΔH_f, kcal/mol:	-19.41
Dipole, Da:	1.93
IP(EA), eV:	-8.65(-0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(azepan-1-yl)-2-[(3-methoxycyclopentyl)amino]propan-1-one

Drug info:

PubChemData

Smile

CC(C1=CC2=CC=CC=C2C=C1)NC3CCC(C3)OC

DOS

IR

Vibrations