Geometry & MOs

Info

ID:	395501
PubChem CID:	135025634
Reduced:	NPO7C17H26 (1)
Stoich.:	ABC7D17E26 (1)
Weight, g/mol:	214.123189
ΔH_f, kcal/mol:	-315.31
Dipole, Da:	6.44
IP(EA), eV:	-9.87(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	-1

Chem-info

IUPAC name:

3-anilino-1-cyclopenta-1,4-dien-1-ylpropan-1-ol

Drug info:

PubChemData

Smile

CCC(=O)[C@](C)(ONC(=O)OCC1=CC=CC=C1)P(=O)(OCC)OCC

DOS

IR

Vibrations