Geometry & MOs

Info

ID:	223502
PubChem CID:	85335133
Reduced:	O2N5C22H27 (1)
Stoich.:	A2B5C22D27 (1)
Weight, g/mol:	392.148455
ΔH_f, kcal/mol:	-19.68
Dipole, Da:	3.19
IP(EA), eV:	-8.82(-0.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[3,4-dioxo-2-(1-phenylpropylamino)cyclobuten-1-yl]imino-N,N-dimethyl-4-oxopyridine-3-carboxamide

Drug info:

PubChemData

Smile

C1CC(C2=C(C1)C=CC=N2)N(CCCC(C(=O)O)N)CC3=NC4=CC=CC=C4N3

DOS

IR

Vibrations