Geometry & MOs

Info

ID:	425706
PubChem CID:	135127503
Reduced:	NO6C24H45 (1)
Stoich.:	AB6C24D45 (1)
Weight, g/mol:	163.1361
ΔH_f, kcal/mol:	-323.21
Dipole, Da:	7.05
IP(EA), eV:	-9.85(0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(1Z)-2-propan-2-ylbuta-1,3-dienyl]but-3-en-2-imine

Drug info:

PubChemData

Smile

CC(C)C(CC1CC(OC(O1)CCCCN=CCCCCC=O)CC(CC(C)O)O)O

DOS

IR

Vibrations