Geometry & MOs

Info

ID:	201711
PubChem CID:	79570034
Reduced:	NOC14H25 (1)
Stoich.:	ABC14D25 (1)
Weight, g/mol:	257.177964
ΔH_f, kcal/mol:	-74.8
Dipole, Da:	3.41
IP(EA), eV:	-8.49(0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)ethyl]cyclopentan-1-one

Drug info:

PubChemData

Smile

CC1CCCN(CC1)CCC2CCCC2=O

DOS

IR

Vibrations