Geometry & MOs

Info

ID:	434991
PubChem CID:	135176371
Reduced:	ClO2N7H30C32 (1)
Stoich.:	AB2C7D30E32 (1)
Weight, g/mol:	246.98441
ΔH_f, kcal/mol:	68.2
Dipole, Da:	6.98
IP(EA), eV:	-9.08(-1.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2E,4E)-4-bromo-5-(dimethylamino)-2-formylpenta-2,4-dienoic acid

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1C2=NC3=CC(=CC(=C3O2)C#N)CNC)C4=C(C(=CC=C4)NC(=O)C5=NC6=C(N5C)CCN(C6)C)Cl

DOS

IR

Vibrations