Geometry & MOs

Info

ID:	386811
PubChem CID:	134983011
Reduced:	NC14H17 (1)
Stoich.:	AB14C17 (1)
Weight, g/mol:	241.146664
ΔH_f, kcal/mol:	41.78
Dipole, Da:	1.76
IP(EA), eV:	-8.79(-0.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2E,4E,6S)-6-(benzylamino)nona-2,4,8-trienal

Drug info:

PubChemData

Smile

CC1=CC=C[C@@]2(C1=NC[C@H]3[C@@H]2C=CC3)C

DOS

IR

Vibrations