Geometry & MOs

Info

ID:	300466
PubChem CID:	121286223
Reduced:	ClO3N8C26H29 (1)
Stoich.:	AB3C8D26E29 (1)
Weight, g/mol:	511.254317
ΔH_f, kcal/mol:	70.36
Dipole, Da:	4.07
IP(EA), eV:	-8.36(-1.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[3-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-4-methoxyanilino]-5-[(4-nitrosocyclohexyl)amino]pyrazine-2-carboxamide

Drug info:

PubChemData

Smile

CCC1=C(N=C(C(=N1)C(=O)N=NN)NC2=CC(=C(C=C2)N3CCN(CC3)C(=O)OC(C)(C)C)C#CC#C)Cl

DOS

IR

Vibrations