Geometry & MOs

Info

ID:	50348
PubChem CID:	12012870
Reduced:	ON2H18C20 (1)
Stoich.:	AB2C18D20 (1)
Weight, g/mol:	140.08373
ΔH_f, kcal/mol:	41.37
Dipole, Da:	3.6
IP(EA), eV:	-9.08(-1.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1E)-1-[(5S)-5-methyloxolan-2-ylidene]propan-2-one

Drug info:

PubChemData

Smile

CC1=CC(=O)/C(=C/2\CCNC3=CC4=CC=CC=C4C=C3N2)/C=C1

DOS

IR

Vibrations