Geometry & MOs

Info

ID:	390631
PubChem CID:	135000072
Reduced:	ON2C16H24 (1)
Stoich.:	AB2C16D24 (1)
Weight, g/mol:	331.15985
ΔH_f, kcal/mol:	-42.06
Dipole, Da:	3.38
IP(EA), eV:	-8.34(0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

carbanide;cyclopenta-1,3-diene;(1S)-1-[2-[(1S)-1-(dimethylamino)ethyl]cyclopenta-2,4-dien-1-yl]ethanol;iron(4+)

Drug info:

PubChemData

Smile

CC[C@](C)(C1N2CCC[C@H]2CN1C3=CC=CC=C3)O

DOS

IR

Vibrations