Geometry & MOs

Info

ID:	52310
PubChem CID:	12015137
Reduced:	NOC12H17 (1)
Stoich.:	ABC12D17 (1)
Weight, g/mol:	220.14633
ΔH_f, kcal/mol:	-2.32
Dipole, Da:	4.62
IP(EA), eV:	-10.28(-0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3E)-3-ethylidene-5,5,8a-trimethyl-7,8-dihydro-6H-chromen-2-one

Drug info:

PubChemData

Smile

CC1(CCCC2(C1(O2)/C=C/C#N)C)C

DOS

IR

Vibrations