Geometry & MOs

Info

ID:	174699
PubChem CID:	75806474
Reduced:	FN2O6H20C23 (1)
Stoich.:	AB2C6D20E23 (1)
Weight, g/mol:	305.161366
ΔH_f, kcal/mol:	-176.3
Dipole, Da:	13.28
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.865167
Charge, e:	1

Chem-info

IUPAC name:

dimethyl-[1-[[[2-oxo-2-[(4-oxopyridin-3-ylidene)amino]acetyl]amino]methyl]cyclopentyl]azanium

Drug info:

PubChemData

Smile

COC1=C(C(=C(C=C1)C2CC(=O)NC3=C2N(C=C3C(=O)[O-])C4=CC(=CC=C4)F)OC)OC

DOS

IR

Vibrations