Geometry & MOs

Info

ID:	233468
PubChem CID:	90944726
Reduced:	N3O6H25C33 (1)
Stoich.:	A3B6C25D33 (1)
Weight, g/mol:	305.199094
ΔH_f, kcal/mol:	-60.13
Dipole, Da:	3.43
IP(EA), eV:	-9.11(-1.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,2-dimethyl-4-(2,4,5-trimethyl-3,6-dioxocyclohexa-1,4-dien-1-yl)heptanamide

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)N2C(=O)C(=C(N2)C(=O)O)C=C=C/C=C/C3=CC4=C(C=C3)C(C(C4O)C5=NC6=CC=CC=C6C=C5O)O

DOS

IR

Vibrations