Geometry & MOs

Info

ID:	410966
PubChem CID:	135083770
Reduced:	OC8H11 (2)
Stoich.:	AB8C11 (2)
Weight, g/mol:	291.060113
ΔH_f, kcal/mol:	-56.34
Dipole, Da:	3.21
IP(EA), eV:	-9.0(-0.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

carbanide;cyclopenta-1,3-diene;3,4-dimethyl-1H-phosphole-2-carbaldehyde;iron(3+)

Drug info:

PubChemData

Smile

CCCCC#CC1=C(C=CC=C1[C@H](C)O)[C@H](C)O

DOS

IR

Vibrations