Geometry & MOs

Info

ID:	431327
PubChem CID:	135171402
Reduced:	ClO2N6C39H45 (1)
Stoich.:	AB2C6D39E45 (1)
Weight, g/mol:	361.06774
ΔH_f, kcal/mol:	-18.62
Dipole, Da:	5.73
IP(EA), eV:	-8.52(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3Z,5E)-N-(3-bromo-2-propylphenyl)-5-formyl-2-methylidenehepta-3,5-dienamide

Drug info:

PubChemData

Smile

C[C@@H]1CCCCN1CC2=CN=C(C=C2)C(=O)NC3=CC=CC(=C3C)C4=C(C(=CC=C4)NC(=O)C5=NC=C(C=C5)CN6CCCC[C@H]6C)Cl

DOS

IR

Vibrations