Geometry & MOs

Info

ID:	227614
PubChem CID:	87562095
Reduced:	NO5C26H33 (1)
Stoich.:	AB5C26D33 (1)
Weight, g/mol:	204.151415
ΔH_f, kcal/mol:	-201.83
Dipole, Da:	2.82
IP(EA), eV:	-8.72(-0.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(5-tert-butylcyclohexa-2,4-dien-1-yl)-2-methylprop-2-enal

Drug info:

PubChemData

Smile

CCOC(=O)/C(=C\C(CC1=CC=C(C=C1)C2=CC=CC=C2OC)NC(=O)OC(C)(C)C)/C

DOS

IR

Vibrations