Geometry & MOs

Info

ID:	381869
PubChem CID:	134972725
Reduced:	NCl2O2C11H13 (1)
Stoich.:	AB2C2D11E13 (1)
Weight, g/mol:	218.13068
ΔH_f, kcal/mol:	-102.38
Dipole, Da:	3.24
IP(EA), eV:	-8.87(-0.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(3-methoxy-5-methylphenyl)-3-methylpent-4-enal

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)NC(=O)OCC(Cl)Cl)C

DOS

IR

Vibrations