Geometry & MOs

Info

ID:	147109
PubChem CID:	53786762
Reduced:	ON3C10H21 (1)
Stoich.:	AB3C10D21 (1)
Weight, g/mol:	188.120115
ΔH_f, kcal/mol:	-61.98
Dipole, Da:	4.03
IP(EA), eV:	-8.77(1.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(3-tert-butylphenyl)prop-2-en-1-one

Drug info:

PubChemData

Smile

CNC(=O)NCCCCN1CCCC1

DOS

IR

Vibrations