Geometry & MOs

Info

ID:	174705
PubChem CID:	75806480
Reduced:	N4O4C22H27 (1)
Stoich.:	A4B4C22D27 (1)
Weight, g/mol:	251.114415
ΔH_f, kcal/mol:	-95.7
Dipole, Da:	1.84
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.116036
Charge, e:	1

Chem-info

IUPAC name:

dimethyl-[2-[[2-oxo-2-[(4-oxopyridin-3-ylidene)amino]acetyl]amino]ethyl]azanium

Drug info:

PubChemData

Smile

CN1C2=CC=CC=C2C(C1=O)NC(=O)C(=O)NCC(C3=CC=C(C=C3)OC)[NH+](C)C

DOS

IR

Vibrations