Geometry & MOs

Info

ID:	36866
PubChem CID:	8013976
Reduced:	NO4C23H25 (1)
Stoich.:	AB4C23D25 (1)
Weight, g/mol:	376.142307
ΔH_f, kcal/mol:	-132.69
Dipole, Da:	4.67
IP(EA), eV:	-8.65(-0.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-[(1-cyanocyclopentyl)amino]-2-oxoethyl] 9H-xanthene-9-carboxylate

Drug info:

PubChemData

Smile

CC[C@H]1CCCCN1C(=O)COC(=O)C2C3=CC=CC=C3OC4=CC=CC=C24

DOS

IR

Vibrations