Geometry & MOs

Info

ID:	283459
PubChem CID:	103983527
Reduced:	ON2C16H26 (1)
Stoich.:	AB2C16D26 (1)
Weight, g/mol:	187.1361
ΔH_f, kcal/mol:	-45.8
Dipole, Da:	2.12
IP(EA), eV:	-8.48(0.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4E)-4-benzylideneazepane

Drug info:

PubChemData

Smile

CCN(CC(C)(C)O)C1CCNCC2=CC=CC=C12

DOS

IR

Vibrations