Geometry & MOs

Info

ID:	45530
PubChem CID:	10514547
Reduced:	O2H10C17 (1)
Stoich.:	A2B10C17 (1)
Weight, g/mol:	246.125594
ΔH_f, kcal/mol:	22.43
Dipole, Da:	5.77
IP(EA), eV:	-9.19(-1.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl (E)-3-(2-formyl-6-methylphenyl)prop-2-enoate

Drug info:

PubChemData

Smile

CC1=CC2=C(C=CC3=CC=CC=C32)C4=C1C(=O)C4=O

DOS

IR

Vibrations