Geometry & MOs

Info

ID:	399371
PubChem CID:	135039940
Reduced:	OH11C13 (1)
Stoich.:	AB11C13 (1)
Weight, g/mol:	185.120449
ΔH_f, kcal/mol:	69.69
Dipole, Da:	2.01
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.878713
Charge, e:	0

Chem-info

IUPAC name:

(1S)-1-cyclopenta-2,4-dien-1-yl-N-(cyclopenta-2,4-dien-1-ylidenemethyl)ethanamine

Drug info:

PubChemData

Smile

[CH-]1C=CC(=C1)[C@@H]2[C@H](O2)C3=CC=CC=C3

DOS

IR

Vibrations