Geometry & MOs

Info

ID:	399274
PubChem CID:	135039308
Reduced:	O2C15H24 (1)
Stoich.:	A2B15C24 (1)
Weight, g/mol:	157.052764
ΔH_f, kcal/mol:	-110.09
Dipole, Da:	3.84
IP(EA), eV:	-9.32(0.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-imino-3-methylideneinden-1-one

Drug info:

PubChemData

Smile

CC1=C(C[C@@H]2[C@@](O1)(CCCC2(C)C)C)C(=O)C

DOS

IR

Vibrations