Geometry & MOs

Info

ID:	79807
PubChem CID:	49830538
Reduced:	O3N4C26H26 (1)
Stoich.:	A3B4C26D26 (1)
Weight, g/mol:	375.133139
ΔH_f, kcal/mol:	-12.86
Dipole, Da:	5.09
IP(EA), eV:	-8.78(-0.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-[[[2-(1H-indazol-5-ylamino)-3,4-dioxocyclobuten-1-yl]amino]methyl]phenyl]acetamide

Drug info:

PubChemData

Smile

CN(C)CCCOC1=CC(=C2CNC(=O)C2=C1)C3=CC=C(C=C3)NC4=NC5=CC=CC=C5O4

DOS

IR

Vibrations